[(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C19H23N5O2 — CID 167145746

IUPAC[(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(-c3nc4ccccc4[nH]3)n[nH]2)C1
InChIInChI=1S/C19H23N5O2/c1-11(2)20-19(25)26-13-8-7-12(9-13)16-10-17(24-23-16)18-21-14-5-3-4-6-15(14)22-18/h3-6,10-13H,7-9H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)/t12-,13+/m0/s1
InChIKeyHVHOPHZWTHJFBZ-QWHCGFSZSA-N
MW353.43 g/mol
LogP3.72
Rot. Bonds4

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

[(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 167145746) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID167145746
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(-c3nc4ccccc4[nH]3)n[nH]2)C1
InChIInChI=1S/C19H23N5O2/c1-11(2)20-19(25)26-13-8-7-12(9-13)16-10-17(24-23-16)18-21-14-5-3-4-6-15(14)22-18/h3-6,10-13H,7-9H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)/t12-,13+/m0/s1
InChIKeyHVHOPHZWTHJFBZ-QWHCGFSZSA-N
XLogP3.72
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 167145746) is [(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(-c3nc4ccccc4[nH]3)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is HVHOPHZWTHJFBZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11(2)20-19(25)26-13-8-7-12(9-13)16-10-17(24-23-16)18-21-14-5-3-4-6-15(14)22-18/h3-6,10-13H,7-9H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)/t12-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 353.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 167145746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).