N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H16F3N5O — CID 125171084

IUPACN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)C1CC1
InChIInChI=1S/C14H16F3N5O/c1-21-6-5-18-12(21)11(8-3-4-8)19-13(23)9-7-10(14(15,16)17)20-22(9)2/h5-8,11H,3-4H2,1-2H3,(H,19,23)/t11-/m0/s1
InChIKeyLDYPKMHKFIIDBB-NSHDSACASA-N
MW327.31 g/mol
LogP2.05
Rot. Bonds4

About N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 125171084) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID125171084
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)C1CC1
InChIInChI=1S/C14H16F3N5O/c1-21-6-5-18-12(21)11(8-3-4-8)19-13(23)9-7-10(14(15,16)17)20-22(9)2/h5-8,11H,3-4H2,1-2H3,(H,19,23)/t11-/m0/s1
InChIKeyLDYPKMHKFIIDBB-NSHDSACASA-N
XLogP2.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125436853
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125440909
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91794163
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
3-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 128988071
2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 124852775
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 125171084) is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1ccnc1[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is LDYPKMHKFIIDBB-NSHDSACASA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-21-6-5-18-12(21)11(8-3-4-8)19-13(23)9-7-10(14(15,16)17)20-22(9)2/h5-8,11H,3-4H2,1-2H3,(H,19,23)/t11-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 125171084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).