N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide

C14H18N4O — CID 43275637

IUPACN-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(C)c1)c1ccc(CN)cc1
InChIInChI=1S/C14H18N4O/c1-3-18(13-6-4-11(8-15)5-7-13)14(19)12-9-16-17(2)10-12/h4-7,9-10H,3,8,15H2,1-2H3
InChIKeyRNVCMGPNQDTIMY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.55
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide

N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 43275637) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID43275637
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(C)c1)c1ccc(CN)cc1
InChIInChI=1S/C14H18N4O/c1-3-18(13-6-4-11(8-15)5-7-13)14(19)12-9-16-17(2)10-12/h4-7,9-10H,3,8,15H2,1-2H3
InChIKeyRNVCMGPNQDTIMY-UHFFFAOYSA-N
XLogP1.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide
CID 104668912
N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085264
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 116589973
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 43136163
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
N,4-diethyl-N-(1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 146093218
3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 119863755
[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420
N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
CID 63755874
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide (CID 43275637) is N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide is CCN(C(=O)c1cnn(C)c1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is RNVCMGPNQDTIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18(13-6-4-11(8-15)5-7-13)14(19)12-9-16-17(2)10-12/h4-7,9-10H,3,8,15H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 43275637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).