(3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone

C10H13F2N3O — CID 126773851

IUPAC(3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cn[nH]c2)CC1(F)F
InChIInChI=1S/C10H13F2N3O/c1-7-2-3-15(6-10(7,11)12)9(16)8-4-13-14-5-8/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeySBKKBHYSOAQATR-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.53
Rot. Bonds1

About (3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone

(3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 126773851) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is (3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID126773851
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cn[nH]c2)CC1(F)F
InChIInChI=1S/C10H13F2N3O/c1-7-2-3-15(6-10(7,11)12)9(16)8-4-13-14-5-8/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeySBKKBHYSOAQATR-UHFFFAOYSA-N
XLogP1.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45239009
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
3-ethyl-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxamide
CID 77092336
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420
(5-methyl-1H-pyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65532803

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 126773851) is (3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone is CC1CCN(C(=O)c2cn[nH]c2)CC1(F)F.
What is the InChIKey of (3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is SBKKBHYSOAQATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-7-2-3-15(6-10(7,11)12)9(16)8-4-13-14-5-8/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of (3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
(3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 229.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-4-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 126773851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).