1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide

C12H18N6O — CID 66018138

IUPAC1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide
SMILESCCCc1nn(C)c(-n2ccc(C(=O)NC)n2)c1N
InChIInChI=1S/C12H18N6O/c1-4-5-8-10(13)12(17(3)15-8)18-7-6-9(16-18)11(19)14-2/h6-7H,4-5,13H2,1-3H3,(H,14,19)
InChIKeyFAIFTSGOUMQIDE-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.50
Rot. Bonds4

About 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide

1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 66018138) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide
PubChem CID66018138
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide
SMILESCCCc1nn(C)c(-n2ccc(C(=O)NC)n2)c1N
InChIInChI=1S/C12H18N6O/c1-4-5-8-10(13)12(17(3)15-8)18-7-6-9(16-18)11(19)14-2/h6-7H,4-5,13H2,1-3H3,(H,14,19)
InChIKeyFAIFTSGOUMQIDE-UHFFFAOYSA-N
XLogP0.50
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide
CID 64782143
5-(3-cyclopropylpyrazol-1-yl)-1-methyl-3-propylpyrazol-4-amine
CID 66019880
1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 80868849
1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpiperidine-4-carboxamide
CID 66017883
N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide
CID 80950267
1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone
CID 66018435
1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 112678365
1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 64782821
1-(5-amino-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64782073
1-(2-amino-4-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 64782075
4-amino-1-methyl-3-propylpyrazole-5-carboxamide
CID 3338044
1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64781708

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide (CID 66018138) is 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide is CCCc1nn(C)c(-n2ccc(C(=O)NC)n2)c1N.
What is the InChIKey of 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is FAIFTSGOUMQIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-5-8-10(13)12(17(3)15-8)18-7-6-9(16-18)11(19)14-2/h6-7H,4-5,13H2,1-3H3,(H,14,19).
What are the key properties of 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide?
1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66018138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).