N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide

C14H18N4O — CID 62920452

IUPACN-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C14H18N4O/c1-17-13(7-9-16-17)14(19)18(10-8-15)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11,15H2,1H3
InChIKeyLQDXCGLIPQGSER-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.02
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide

N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide (PubChem CID 62920452) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide
PubChem CID62920452
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C14H18N4O/c1-17-13(7-9-16-17)14(19)18(10-8-15)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11,15H2,1H3
InChIKeyLQDXCGLIPQGSER-UHFFFAOYSA-N
XLogP1.02
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide
CID 167894254
3-[(3,4-difluorophenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 119208062
N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide
CID 62921296
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
2-[(2-methylpyrazole-3-carbonyl)-propylamino]acetic acid
CID 61006717
2-methyl-N,N-diphenylpyrazole-3-carboxamide
CID 167438235
N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120648433
2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 61011424
4-acetyl-N-(3-aminopropyl)-N-benzyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120649222
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 62921137
N,2-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110467101
2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 119197706

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide (CID 62920452) is N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide?
The InChIKey is LQDXCGLIPQGSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-13(7-9-16-17)14(19)18(10-8-15)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11,15H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide?
N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 62920452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).