5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide

C10H15ClN4O — CID 115044845

IUPAC5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCNC2)c1Cl
InChIInChI=1S/C10H15ClN4O/c1-15-9(11)8(6-13-15)10(16)14-7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H,14,16)
InChIKeyIKLAKPFVPRMIQT-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.56
Rot. Bonds2

About 5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide

5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide (PubChem CID 115044845) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
PubChem CID115044845
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCNC2)c1Cl
InChIInChI=1S/C10H15ClN4O/c1-15-9(11)8(6-13-15)10(16)14-7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H,14,16)
InChIKeyIKLAKPFVPRMIQT-UHFFFAOYSA-N
XLogP0.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 66187230
3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119426879
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406
N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121083
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
1-(4-bromophenyl)-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119426369
1-(3-chloro-2-pyridinyl)-N-piperidin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119426018
4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 82771489
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide (CID 115044845) is 5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CCCNC2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The InChIKey is IKLAKPFVPRMIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-15-9(11)8(6-13-15)10(16)14-7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H,14,16).
What are the key properties of 5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 115044845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).