N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide

C14H18N4O2 — CID 60933546

IUPACN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C14H18N4O2/c1-2-18(7-8-19)13-5-3-12(4-6-13)17-14(20)11-9-15-16-10-11/h3-6,9-10,19H,2,7-8H2,1H3,(H,15,16)(H,17,20)
InChIKeyNDZIKAPKKUZUOM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.48
Rot. Bonds6

About N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide

N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 60933546) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID60933546
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C14H18N4O2/c1-2-18(7-8-19)13-5-3-12(4-6-13)17-14(20)11-9-15-16-10-11/h3-6,9-10,19H,2,7-8H2,1H3,(H,15,16)(H,17,20)
InChIKeyNDZIKAPKKUZUOM-UHFFFAOYSA-N
XLogP1.48
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide
CID 79691493
N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 63085076
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide
CID 7553108
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
CID 106685549
2-[4-[ethyl(2-hydroxyethyl)amino]anilino]propanoic acid
CID 66174751
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide (CID 60933546) is N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide is CCN(CCO)c1ccc(NC(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is NDZIKAPKKUZUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-18(7-8-19)13-5-3-12(4-6-13)17-14(20)11-9-15-16-10-11/h3-6,9-10,19H,2,7-8H2,1H3,(H,15,16)(H,17,20).
What are the key properties of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60933546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).