4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide

C12H21N5O2 — CID 106095333

IUPAC4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)(C)CC(N)=O)c1N
InChIInChI=1S/C12H21N5O2/c1-4-5-7-9(14)10(17-16-7)11(19)15-12(2,3)6-8(13)18/h4-6,14H2,1-3H3,(H2,13,18)(H,15,19)(H,16,17)
InChIKeyJBTMWRPEMCGSGE-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.33
Rot. Bonds6

About 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 106095333) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID106095333
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)(C)CC(N)=O)c1N
InChIInChI=1S/C12H21N5O2/c1-4-5-7-9(14)10(17-16-7)11(19)15-12(2,3)6-8(13)18/h4-6,14H2,1-3H3,(H2,13,18)(H,15,19)(H,16,17)
InChIKeyJBTMWRPEMCGSGE-UHFFFAOYSA-N
XLogP0.33
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076097
4-amino-N-(3,3-difluoro-2-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 114092837
4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
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4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide (CID 106095333) is 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NC(C)(C)CC(N)=O)c1N.
What is the InChIKey of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is JBTMWRPEMCGSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-5-7-9(14)10(17-16-7)11(19)15-12(2,3)6-8(13)18/h4-6,14H2,1-3H3,(H2,13,18)(H,15,19)(H,16,17).
What are the key properties of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106095333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).