[(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C19H27N7O3 — CID 177372983

IUPAC[(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)C3CC3c3cnnn3C)n[nH]2)C1
InChIInChI=1S/C19H27N7O3/c1-10(2)21-19(28)29-12-5-4-11(6-12)15-8-17(24-23-15)22-18(27)14-7-13(14)16-9-20-25-26(16)3/h8-14H,4-7H2,1-3H3,(H,21,28)(H2,22,23,24,27)/t11-,12+,13?,14?/m0/s1
InChIKeyJYMRLYAWBGCYJJ-MRFVTOPCSA-N
MW401.47 g/mol
LogP2.05
Rot. Bonds6

About [(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 177372983) has the molecular formula C19H27N7O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID177372983
Molecular FormulaC19H27N7O3
Molecular Weight401.47 g/mol
Exact Mass401.22
IUPAC Name[(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)C3CC3c3cnnn3C)n[nH]2)C1
InChIInChI=1S/C19H27N7O3/c1-10(2)21-19(28)29-12-5-4-11(6-12)15-8-17(24-23-15)22-18(27)14-7-13(14)16-9-20-25-26(16)3/h8-14H,4-7H2,1-3H3,(H,21,28)(H2,22,23,24,27)/t11-,12+,13?,14?/m0/s1
InChIKeyJYMRLYAWBGCYJJ-MRFVTOPCSA-N
XLogP2.05
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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[3-[3-[(1-methylpyrazolo[5,4-c]pyridin-7-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 177372983) is [(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)C3CC3c3cnnn3C)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is JYMRLYAWBGCYJJ-MRFVTOPCSA-N. The full InChI is InChI=1S/C19H27N7O3/c1-10(2)21-19(28)29-12-5-4-11(6-12)15-8-17(24-23-15)22-18(27)14-7-13(14)16-9-20-25-26(16)3/h8-14H,4-7H2,1-3H3,(H,21,28)(H2,22,23,24,27)/t11-,12+,13?,14?/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 401.47 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(3-methyltriazol-4-yl)cyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 177372983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).