4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide

C13H21ClN4O2 — CID 125155609

IUPAC4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCCN2CCC[C@@H](O)C2)c1Cl
InChIInChI=1S/C13H21ClN4O2/c1-9-11(14)12(17-16-9)13(20)15-5-3-7-18-6-2-4-10(19)8-18/h10,19H,2-8H2,1H3,(H,15,20)(H,16,17)/t10-/m1/s1
InChIKeyJCNXTWZCTBUUQR-SNVBAGLBSA-N
MW300.79 g/mol
LogP0.95
Rot. Bonds5

About 4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide

4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 125155609) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID125155609
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCCN2CCC[C@@H](O)C2)c1Cl
InChIInChI=1S/C13H21ClN4O2/c1-9-11(14)12(17-16-9)13(20)15-5-3-7-18-6-2-4-10(19)8-18/h10,19H,2-8H2,1H3,(H,15,20)(H,16,17)/t10-/m1/s1
InChIKeyJCNXTWZCTBUUQR-SNVBAGLBSA-N
XLogP0.95
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-hydroxypiperidin-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131895752
4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 126429719
4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 126436627
6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 119064664
3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 131931427
N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
CID 142245443
4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125170855
1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 126445216
N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
CID 56818106
1-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]-3-[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]urea
CID 125167351
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 125155609) is 4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCCN2CCC[C@@H](O)C2)c1Cl.
What is the InChIKey of 4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is JCNXTWZCTBUUQR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-9-11(14)12(17-16-9)13(20)15-5-3-7-18-6-2-4-10(19)8-18/h10,19H,2-8H2,1H3,(H,15,20)(H,16,17)/t10-/m1/s1.
What are the key properties of 4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125155609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).