4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide

C12H22N4O — CID 62080976

IUPAC4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)C(C)CC)c1N
InChIInChI=1S/C12H22N4O/c1-5-7(3)8(4)14-12(17)11-10(13)9(6-2)15-16-11/h7-8H,5-6,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeySTUIGWYJKVGOJB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.72
Rot. Bonds5

About 4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 62080976) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID62080976
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)C(C)CC)c1N
InChIInChI=1S/C12H22N4O/c1-5-7(3)8(4)14-12(17)11-10(13)9(6-2)15-16-11/h7-8H,5-6,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeySTUIGWYJKVGOJB-UHFFFAOYSA-N
XLogP1.72
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
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4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide (CID 62080976) is 4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC(C)C(C)CC)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is STUIGWYJKVGOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-7(3)8(4)14-12(17)11-10(13)9(6-2)15-16-11/h7-8H,5-6,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).