N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide

C16H22N4O — CID 43318651

IUPACN-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1N(CCCN)C(=O)c1cnn(C)c1C
InChIInChI=1S/C16H22N4O/c1-12-7-4-5-8-15(12)20(10-6-9-17)16(21)14-11-18-19(3)13(14)2/h4-5,7-8,11H,6,9-10,17H2,1-3H3
InChIKeyXYZXATCICHZKKI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.03
Rot. Bonds5

About N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide

N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 43318651) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID43318651
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1N(CCCN)C(=O)c1cnn(C)c1C
InChIInChI=1S/C16H22N4O/c1-12-7-4-5-8-15(12)20(10-6-9-17)16(21)14-11-18-19(3)13(14)2/h4-5,7-8,11H,6,9-10,17H2,1-3H3
InChIKeyXYZXATCICHZKKI-UHFFFAOYSA-N
XLogP2.03
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43547822
N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808
1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
CID 43164862
N-(3-aminopropyl)-N-cyclohexyl-1,5-dimethylpyrazole-4-carboxamide
CID 43319374
N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 28766792
4-amino-1-(1,5-dimethylpyrazol-4-yl)butan-1-one
CID 82408297
1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea
CID 43318701
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid
CID 60825165
N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61234511
N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 60922468
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
CID 62586297

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide (CID 43318651) is N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1N(CCCN)C(=O)c1cnn(C)c1C.
What is the InChIKey of N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is XYZXATCICHZKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-7-4-5-8-15(12)20(10-6-9-17)16(21)14-11-18-19(3)13(14)2/h4-5,7-8,11H,6,9-10,17H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide?
N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 43318651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).