[3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C26H39N7O4 — CID 167294655

IUPAC[3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC/C(Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)[nH]n1)=c1\c(=C/N)c(COC2CCOC2)nn1C
InChIInChI=1S/C26H39N7O4/c1-4-20(24-19(13-27)22(32-33(24)3)15-36-18-7-10-35-14-18)28-23-12-21(30-31-23)16-5-6-17(11-16)37-25(34)29-26(2)8-9-26/h12-13,16-18H,4-11,14-15,27H2,1-3H3,(H,29,34)(H2,28,30,31)/b19-13-,24-20-
InChIKeyTVEVQDNWNFTZBD-OBOBMEHVSA-N
MW513.64 g/mol
LogP1.69
Rot. Bonds9

About [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 167294655) has the molecular formula C26H39N7O4 and a molecular weight of 513.64 g/mol. Its IUPAC name is [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID167294655
Molecular FormulaC26H39N7O4
Molecular Weight513.64 g/mol
Exact Mass513.31
IUPAC Name[3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC/C(Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)[nH]n1)=c1\c(=C/N)c(COC2CCOC2)nn1C
InChIInChI=1S/C26H39N7O4/c1-4-20(24-19(13-27)22(32-33(24)3)15-36-18-7-10-35-14-18)28-23-12-21(30-31-23)16-5-6-17(11-16)37-25(34)29-26(2)8-9-26/h12-13,16-18H,4-11,14-15,27H2,1-3H3,(H,29,34)(H2,28,30,31)/b19-13-,24-20-
InChIKeyTVEVQDNWNFTZBD-OBOBMEHVSA-N
XLogP1.69
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.64
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 167294655) is [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC/C(Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)[nH]n1)=c1\c(=C/N)c(COC2CCOC2)nn1C.
What is the InChIKey of [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is TVEVQDNWNFTZBD-OBOBMEHVSA-N. The full InChI is InChI=1S/C26H39N7O4/c1-4-20(24-19(13-27)22(32-33(24)3)15-36-18-7-10-35-14-18)28-23-12-21(30-31-23)16-5-6-17(11-16)37-25(34)29-26(2)8-9-26/h12-13,16-18H,4-11,14-15,27H2,1-3H3,(H,29,34)(H2,28,30,31)/b19-13-,24-20-.
What are the key properties of [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 513.64 g/mol, XLogP of 1.69, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[(1Z)-1-[(4E)-4-(aminomethylidene)-2-methyl-5-(oxolan-3-yloxymethyl)pyrazol-3-ylidene]propyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 167294655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).