1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide

C10H13F3N4O — CID 156608717

IUPAC1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CCNC1
InChIInChI=1S/C10H13F3N4O/c1-17-7(4-8(16-17)10(11,12)13)9(18)15-6-2-3-14-5-6/h4,6,14H,2-3,5H2,1H3,(H,15,18)
InChIKeyXIFDDRYDRPQSHD-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.53
Rot. Bonds2

About 1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 156608717) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID156608717
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CCNC1
InChIInChI=1S/C10H13F3N4O/c1-17-7(4-8(16-17)10(11,12)13)9(18)15-6-2-3-14-5-6/h4,6,14H,2-3,5H2,1H3,(H,15,18)
InChIKeyXIFDDRYDRPQSHD-UHFFFAOYSA-N
XLogP0.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 119389510
N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 39854597
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 39854596
1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-[(3S)-pyrrolidin-3-yl]urea
CID 126440780
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379331
N-butyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480290
4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229364
1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-5-yl]pyrazole-5-carboxamide
CID 177050907
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125171084

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 156608717) is 1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC1CCNC1.
What is the InChIKey of 1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is XIFDDRYDRPQSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-17-7(4-8(16-17)10(11,12)13)9(18)15-6-2-3-14-5-6/h4,6,14H,2-3,5H2,1H3,(H,15,18).
What are the key properties of 1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 156608717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).