[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C24H36N6O4 — CID 154616458

IUPAC[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)nn2C(C)(C)C)n(C)n1
InChIInChI=1S/C24H36N6O4/c1-23(2,3)30-20(25-21(31)19-12-16(14-33-6)27-29(19)5)13-18(28-30)15-7-8-17(11-15)34-22(32)26-24(4)9-10-24/h12-13,15,17H,7-11,14H2,1-6H3,(H,25,31)(H,26,32)/t15-,17+/m0/s1
InChIKeyFQVIXEWPVFCXAH-DOTOQJQBSA-N
MW472.59 g/mol
LogP3.69
Rot. Bonds7

About [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 154616458) has the molecular formula C24H36N6O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID154616458
Molecular FormulaC24H36N6O4
Molecular Weight472.59 g/mol
Exact Mass472.28
IUPAC Name[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)nn2C(C)(C)C)n(C)n1
InChIInChI=1S/C24H36N6O4/c1-23(2,3)30-20(25-21(31)19-12-16(14-33-6)27-29(19)5)13-18(28-30)15-7-8-17(11-15)34-22(32)26-24(4)9-10-24/h12-13,15,17H,7-11,14H2,1-6H3,(H,25,31)(H,26,32)/t15-,17+/m0/s1
InChIKeyFQVIXEWPVFCXAH-DOTOQJQBSA-N
XLogP3.69
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 154616458) is [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is COCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)nn2C(C)(C)C)n(C)n1.
What is the InChIKey of [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is FQVIXEWPVFCXAH-DOTOQJQBSA-N. The full InChI is InChI=1S/C24H36N6O4/c1-23(2,3)30-20(25-21(31)19-12-16(14-33-6)27-29(19)5)13-18(28-30)15-7-8-17(11-15)34-22(32)26-24(4)9-10-24/h12-13,15,17H,7-11,14H2,1-6H3,(H,25,31)(H,26,32)/t15-,17+/m0/s1.
What are the key properties of [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 472.59 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 154616458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).