[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate

C20H28N6O5 — CID 154616667

IUPAC[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate
SMILESCOc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CCOC4)C3)[nH]n2)n(C)n1
InChIInChI=1S/C20H28N6O5/c1-20(6-7-30-11-20)22-19(28)31-13-5-4-12(8-13)14-9-16(24-23-14)21-18(27)15-10-17(29-3)25-26(15)2/h9-10,12-13H,4-8,11H2,1-3H3,(H,22,28)(H2,21,23,24,27)/t12-,13+,20?/m0/s1
InChIKeyFSOTZRIPUDUIGC-OVNXLKRTSA-N
MW432.48 g/mol
LogP1.95
Rot. Bonds6

About [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate

[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate (PubChem CID 154616667) has the molecular formula C20H28N6O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate
PubChem CID154616667
Molecular FormulaC20H28N6O5
Molecular Weight432.48 g/mol
Exact Mass432.21
IUPAC Name[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate
SMILESCOc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CCOC4)C3)[nH]n2)n(C)n1
InChIInChI=1S/C20H28N6O5/c1-20(6-7-30-11-20)22-19(28)31-13-5-4-12(8-13)14-9-16(24-23-14)21-18(27)15-10-17(29-3)25-26(15)2/h9-10,12-13H,4-8,11H2,1-3H3,(H,22,28)(H2,21,23,24,27)/t12-,13+,20?/m0/s1
InChIKeyFSOTZRIPUDUIGC-OVNXLKRTSA-N
XLogP1.95
TPSA132.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate?
The IUPAC name of [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate (CID 154616667) is [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate is COc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CCOC4)C3)[nH]n2)n(C)n1.
What is the InChIKey of [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate?
The InChIKey is FSOTZRIPUDUIGC-OVNXLKRTSA-N. The full InChI is InChI=1S/C20H28N6O5/c1-20(6-7-30-11-20)22-19(28)31-13-5-4-12(8-13)14-9-16(24-23-14)21-18(27)15-10-17(29-3)25-26(15)2/h9-10,12-13H,4-8,11H2,1-3H3,(H,22,28)(H2,21,23,24,27)/t12-,13+,20?/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate?
[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate has a molecular weight of 432.48 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate is sourced from PubChem (CID 154616667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).