4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide

C7H12N4O2 — CID 62082092

IUPAC4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCO)c1N
InChIInChI=1S/C7H12N4O2/c1-4-5(8)6(11-10-4)7(13)9-2-3-12/h12H,2-3,8H2,1H3,(H,9,13)(H,10,11)
InChIKeyCCUUDMJLBUSOKJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.98
Rot. Bonds3

About 4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62082092) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62082092
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCO)c1N
InChIInChI=1S/C7H12N4O2/c1-4-5(8)6(11-10-4)7(13)9-2-3-12/h12H,2-3,8H2,1H3,(H,9,13)(H,10,11)
InChIKeyCCUUDMJLBUSOKJ-UHFFFAOYSA-N
XLogP-0.98
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
CID 83202712
4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081384
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034477
4-amino-5-methyl-N-(4-methylpentyl)-1H-pyrazole-3-carboxamide
CID 62083375
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034138
4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909
4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 65103807
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 66170407
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 106139377
4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64570786

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 62082092) is 4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCO)c1N.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CCUUDMJLBUSOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4-5(8)6(11-10-4)7(13)9-2-3-12/h12H,2-3,8H2,1H3,(H,9,13)(H,10,11).
What are the key properties of 4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).