(3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide

C13H14ClN5O2 — CID 97084720

IUPAC(3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(-c2ncccc2Cl)n1)N1CC[C@H](O)C1
InChIInChI=1S/C13H14ClN5O2/c14-10-2-1-5-15-12(10)19-7-4-11(17-19)16-13(21)18-6-3-9(20)8-18/h1-2,4-5,7,9,20H,3,6,8H2,(H,16,17,21)/t9-/m0/s1
InChIKeyDZNQQSLYKMKOFD-VIFPVBQESA-N
MW307.74 g/mol
LogP1.52
Rot. Bonds2

About (3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide

(3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 97084720) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is (3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID97084720
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name(3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(-c2ncccc2Cl)n1)N1CC[C@H](O)C1
InChIInChI=1S/C13H14ClN5O2/c14-10-2-1-5-15-12(10)19-7-4-11(17-19)16-13(21)18-6-3-9(20)8-18/h1-2,4-5,7,9,20H,3,6,8H2,(H,16,17,21)/t9-/m0/s1
InChIKeyDZNQQSLYKMKOFD-VIFPVBQESA-N
XLogP1.52
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide (CID 97084720) is (3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1ccn(-c2ncccc2Cl)n1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is DZNQQSLYKMKOFD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14ClN5O2/c14-10-2-1-5-15-12(10)19-7-4-11(17-19)16-13(21)18-6-3-9(20)8-18/h1-2,4-5,7,9,20H,3,6,8H2,(H,16,17,21)/t9-/m0/s1.
What are the key properties of (3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
(3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 97084720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).