[3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate

C27H41N7O6 — CID 167294542

IUPAC[3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate
SMILESCC/C=c1/c(COC)nn(C)/c1=C(/N)Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)n(COC(=O)OCC)n1
InChIInChI=1S/C27H41N7O6/c1-6-8-19-20(15-37-5)31-33(4)23(19)24(28)29-22-14-21(34(32-22)16-39-26(36)38-7-2)17-9-10-18(13-17)40-25(35)30-27(3)11-12-27/h8,14,17-18H,6-7,9-13,15-16,28H2,1-5H3,(H,29,32)(H,30,35)/b19-8-,24-23-
InChIKeyBIQZVQFXBFTZCW-ZOWJULLMSA-N
MW559.67 g/mol
LogP2.14
Rot. Bonds11

About [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate

[3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate (PubChem CID 167294542) has the molecular formula C27H41N7O6 and a molecular weight of 559.67 g/mol. Its IUPAC name is [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate.

Molecular Properties

Compound Name[3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate
PubChem CID167294542
Molecular FormulaC27H41N7O6
Molecular Weight559.67 g/mol
Exact Mass559.31
IUPAC Name[3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate
SMILESCC/C=c1/c(COC)nn(C)/c1=C(/N)Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)n(COC(=O)OCC)n1
InChIInChI=1S/C27H41N7O6/c1-6-8-19-20(15-37-5)31-33(4)23(19)24(28)29-22-14-21(34(32-22)16-39-26(36)38-7-2)17-9-10-18(13-17)40-25(35)30-27(3)11-12-27/h8,14,17-18H,6-7,9-13,15-16,28H2,1-5H3,(H,29,32)(H,30,35)/b19-8-,24-23-
InChIKeyBIQZVQFXBFTZCW-ZOWJULLMSA-N
XLogP2.14
TPSA156.78 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate?
The IUPAC name of [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate (CID 167294542) is [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate.
What is the SMILES notation for [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate?
The canonical SMILES for [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate is CC/C=c1/c(COC)nn(C)/c1=C(/N)Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)n(COC(=O)OCC)n1.
What is the InChIKey of [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate?
The InChIKey is BIQZVQFXBFTZCW-ZOWJULLMSA-N. The full InChI is InChI=1S/C27H41N7O6/c1-6-8-19-20(15-37-5)31-33(4)23(19)24(28)29-22-14-21(34(32-22)16-39-26(36)38-7-2)17-9-10-18(13-17)40-25(35)30-27(3)11-12-27/h8,14,17-18H,6-7,9-13,15-16,28H2,1-5H3,(H,29,32)(H,30,35)/b19-8-,24-23-.
What are the key properties of [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate?
[3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate has a molecular weight of 559.67 g/mol, XLogP of 2.14, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(Z)-amino-[(4E)-5-(methoxymethyl)-2-methyl-4-propylidenepyrazol-3-ylidene]methyl]amino]-5-[3-[(1-methylcyclopropyl)carbamoyloxy]cyclopentyl]pyrazol-1-yl]methyl ethyl carbonate is sourced from PubChem (CID 167294542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).