3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide

C15H20ClN5O2 — CID 146110184

IUPAC3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
SMILESO=C(CCn1cc(Cl)cn1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C15H20ClN5O2/c16-12-7-18-21(9-12)3-1-15(23)19-13-5-11(6-14(13)22)8-20-4-2-17-10-20/h2,4,7,9-11,13-14,22H,1,3,5-6,8H2,(H,19,23)/t11?,13-,14-/m1/s1
InChIKeyQWDHZUBWSUEXSU-HIDCPEKUSA-N
MW337.81 g/mol
LogP1.08
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide

3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide (PubChem CID 146110184) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
PubChem CID146110184
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
SMILESO=C(CCn1cc(Cl)cn1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C15H20ClN5O2/c16-12-7-18-21(9-12)3-1-15(23)19-13-5-11(6-14(13)22)8-20-4-2-17-10-20/h2,4,7,9-11,13-14,22H,1,3,5-6,8H2,(H,19,23)/t11?,13-,14-/m1/s1
InChIKeyQWDHZUBWSUEXSU-HIDCPEKUSA-N
XLogP1.08
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide (CID 146110184) is 3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide is O=C(CCn1cc(Cl)cn1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
The InChIKey is QWDHZUBWSUEXSU-HIDCPEKUSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c16-12-7-18-21(9-12)3-1-15(23)19-13-5-11(6-14(13)22)8-20-4-2-17-10-20/h2,4,7,9-11,13-14,22H,1,3,5-6,8H2,(H,19,23)/t11?,13-,14-/m1/s1.
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide has a molecular weight of 337.81 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide is sourced from PubChem (CID 146110184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).