3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide

C12H14N4O2 — CID 64524679

IUPAC3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(CCO)cc2)[nH]n1
InChIInChI=1S/C12H14N4O2/c13-11-7-10(15-16-11)12(18)14-9-3-1-8(2-4-9)5-6-17/h1-4,7,17H,5-6H2,(H,14,18)(H3,13,15,16)
InChIKeyNDTDTCZDLMXQEF-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.78
Rot. Bonds4

About 3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide

3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524679) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID64524679
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(CCO)cc2)[nH]n1
InChIInChI=1S/C12H14N4O2/c13-11-7-10(15-16-11)12(18)14-9-3-1-8(2-4-9)5-6-17/h1-4,7,17H,5-6H2,(H,14,18)(H3,13,15,16)
InChIKeyNDTDTCZDLMXQEF-UHFFFAOYSA-N
XLogP0.78
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 64524809
6-amino-N-[4-(2-hydroxyethyl)phenyl]pyridazine-3-carboxamide
CID 55041891
3-amino-N-[4-(cyclopropylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64523459
4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61236398
5-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104642279
N-[4-(2-hydroxyethyl)phenyl]-3-oxo-2-pyrimidin-2-yl-1H-pyrazole-5-carboxamide
CID 171779212
3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 64524894
N-[4-(2-hydroxyethyl)phenyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61237345
3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64854925
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
3-amino-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104741943
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 64524679) is 3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)Nc2ccc(CCO)cc2)[nH]n1.
What is the InChIKey of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NDTDTCZDLMXQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-11-7-10(15-16-11)12(18)14-9-3-1-8(2-4-9)5-6-17/h1-4,7,17H,5-6H2,(H,14,18)(H3,13,15,16).
What are the key properties of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).