(5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid

C9H7ClN4O2 — CID 67499904

IUPAC(5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid
SMILESO=C(O)Nc1cnn(-c2cccnc2)c1Cl
InChIInChI=1S/C9H7ClN4O2/c10-8-7(13-9(15)16)5-12-14(8)6-2-1-3-11-4-6/h1-5,13H,(H,15,16)
InChIKeyDCKWHZPIUWUROT-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.01
Rot. Bonds2

About (5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid

(5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid (PubChem CID 67499904) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is (5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid.

Molecular Properties

Compound Name(5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid
PubChem CID67499904
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name(5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid
SMILESO=C(O)Nc1cnn(-c2cccnc2)c1Cl
InChIInChI=1S/C9H7ClN4O2/c10-8-7(13-9(15)16)5-12-14(8)6-2-1-3-11-4-6/h1-5,13H,(H,15,16)
InChIKeyDCKWHZPIUWUROT-UHFFFAOYSA-N
XLogP2.01
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-4-methylpyrazol-1-yl)pyridine
CID 19757098
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
CID 130501966
3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
CID 117232501
(2-pyridin-3-ylphenyl)carbamic acid
CID 174385651
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
5-(1-methoxyethyl)-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 169213392
N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-3-carboxamide
CID 99818669
tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate
CID 169213375
sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate
CID 121302296
3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine
CID 174760347
3-pyridin-3-yltriazole-4-carboxylic acid
CID 96625209

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid?
The IUPAC name of (5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid (CID 67499904) is (5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid.
What is the SMILES notation for (5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid?
The canonical SMILES for (5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid is O=C(O)Nc1cnn(-c2cccnc2)c1Cl.
What is the InChIKey of (5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid?
The InChIKey is DCKWHZPIUWUROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-8-7(13-9(15)16)5-12-14(8)6-2-1-3-11-4-6/h1-5,13H,(H,15,16).
What are the key properties of (5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid?
(5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid has a molecular weight of 238.63 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid is sourced from PubChem (CID 67499904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).