N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide

C14H18N4O — CID 61348348

IUPACN-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CCN)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H18N4O/c1-2-17(9-8-15)14(19)12-10-16-18(11-12)13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,15H2,1H3
InChIKeyIDVCXCGJLHOLRQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.29
Rot. Bonds5

About N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide

N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 61348348) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID61348348
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CCN)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H18N4O/c1-2-17(9-8-15)14(19)12-10-16-18(11-12)13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,15H2,1H3
InChIKeyIDVCXCGJLHOLRQ-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 115771673
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
CID 78901864
N-(2-chloroethyl)-1-phenyl-N-propylpyrazole-4-carboxamide
CID 63393118
3-[[1-(4-bromophenyl)pyrazole-4-carbonyl]-ethylamino]propanoic acid
CID 119190871
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 55425881
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18116117
2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119189506
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
N-(2-bromopropyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 80664984
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide (CID 61348348) is N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide is CCN(CCN)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is IDVCXCGJLHOLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-17(9-8-15)14(19)12-10-16-18(11-12)13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,15H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide?
N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.29, 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-ethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 61348348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).