N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H13F3N4O — CID 55227826

IUPACN-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCn1nccc1NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N4O/c1-17-7(2-4-15-17)16-8(18)9(10(11,12)13)3-5-14-6-9/h2,4,14H,3,5-6H2,1H3,(H,16,18)
InChIKeyCSMXYFZAXGZGOU-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.90
Rot. Bonds2

About N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227826) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227826
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCn1nccc1NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N4O/c1-17-7(2-4-15-17)16-8(18)9(10(11,12)13)3-5-14-6-9/h2,4,14H,3,5-6H2,1H3,(H,16,18)
InChIKeyCSMXYFZAXGZGOU-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
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(5S)-3-(2-propan-2-ylpyrazol-3-yl)-5-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 124293901
3-cyano-N-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-methylbutanamide
CID 132378241
(1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide
CID 164632144
(3S)-N-(4-methyl-1-propylpyrazol-5-yl)-3-pyrazol-1-ylbutanamide
CID 164632323
N-(1-Ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 57698727
2,2,2-trifluoro-N-(1-methyl-1H-pyrazol-5-yl)acetamide
CID 75480930
N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide
CID 89187445
N-[1-(difluoromethyl)pyrazol-3-yl]propanamide
CID 140163494
N-[1-(2-fluoroethyl)pyrazol-3-yl]propanamide
CID 140163495
N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propanamide
CID 140163502
2-Sulfanylidene-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 155046577

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227826) is N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cn1nccc1NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is CSMXYFZAXGZGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-17-7(2-4-15-17)16-8(18)9(10(11,12)13)3-5-14-6-9/h2,4,14H,3,5-6H2,1H3,(H,16,18).
What are the key properties of N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).