N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide

C15H20N4O — CID 66120978

IUPACN-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(CN)cc2)n(CC)n1
InChIInChI=1S/C15H20N4O/c1-3-12-9-14(19(4-2)18-12)15(20)17-13-7-5-11(10-16)6-8-13/h5-9H,3-4,10,16H2,1-2H3,(H,17,20)
InChIKeyRKRTZFCSOQOPAV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.18
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide

N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66120978) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
PubChem CID66120978
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(CN)cc2)n(CC)n1
InChIInChI=1S/C15H20N4O/c1-3-12-9-14(19(4-2)18-12)15(20)17-13-7-5-11(10-16)6-8-13/h5-9H,3-4,10,16H2,1-2H3,(H,17,20)
InChIKeyRKRTZFCSOQOPAV-UHFFFAOYSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide
CID 66122725
N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120808
N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66121775
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 81315071
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide
CID 90967686
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide (CID 66120978) is N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccc(CN)cc2)n(CC)n1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is RKRTZFCSOQOPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-12-9-14(19(4-2)18-12)15(20)17-13-7-5-11(10-16)6-8-13/h5-9H,3-4,10,16H2,1-2H3,(H,17,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide?
N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66120978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).