1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide

C16H17F3N4O — CID 4862711

IUPAC1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(/N=C/c2ccc(C(F)(F)F)cc2)cnn1C
InChIInChI=1S/C16H17F3N4O/c1-3-8-20-15(24)14-13(10-22-23(14)2)21-9-11-4-6-12(7-5-11)16(17,18)19/h4-7,9-10H,3,8H2,1-2H3,(H,20,24)/b21-9+
InChIKeyCXJRXHDBIZOCIG-ZVBGSRNCSA-N
MW338.33 g/mol
LogP3.33
Rot. Bonds5

About 1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide

1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide (PubChem CID 4862711) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
PubChem CID4862711
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(/N=C/c2ccc(C(F)(F)F)cc2)cnn1C
InChIInChI=1S/C16H17F3N4O/c1-3-8-20-15(24)14-13(10-22-23(14)2)21-9-11-4-6-12(7-5-11)16(17,18)19/h4-7,9-10H,3,8H2,1-2H3,(H,20,24)/b21-9+
InChIKeyCXJRXHDBIZOCIG-ZVBGSRNCSA-N
XLogP3.33
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide
CID 4862946
N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 126006156
4-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methylideneamino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 4862778
6-methyl-N-propyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155560743
4-(cyclopropanecarbonylamino)-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396172
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide
CID 166376449
1-methyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
CID 29095638
4-chloro-2-methyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
CID 110512440
1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
CID 4865439
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 105423901
4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396369

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide (CID 4862711) is 1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide is CCCNC(=O)c1c(/N=C/c2ccc(C(F)(F)F)cc2)cnn1C.
What is the InChIKey of 1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide?
The InChIKey is CXJRXHDBIZOCIG-ZVBGSRNCSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-3-8-20-15(24)14-13(10-22-23(14)2)21-9-11-4-6-12(7-5-11)16(17,18)19/h4-7,9-10H,3,8H2,1-2H3,(H,20,24)/b21-9+.
What are the key properties of 1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide?
1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide is sourced from PubChem (CID 4862711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).