5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide

C11H21N5O — CID 65192892

IUPAC5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCCC(CN)Nc1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C11H21N5O/c1-4-5-8(6-12)14-11-9(10(13)17)7(2)15-16(11)3/h8,14H,4-6,12H2,1-3H3,(H2,13,17)
InChIKeyVGYQOVLHIROOLL-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.37
Rot. Bonds6

About 5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide

5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 65192892) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID65192892
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCCC(CN)Nc1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C11H21N5O/c1-4-5-8(6-12)14-11-9(10(13)17)7(2)15-16(11)3/h8,14H,4-6,12H2,1-3H3,(H2,13,17)
InChIKeyVGYQOVLHIROOLL-UHFFFAOYSA-N
XLogP0.37
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hexan-3-ylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63758432
2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid
CID 65226774
5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
CID 63757522
4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide
CID 81051498
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid
CID 63756272
5-(1-cyclopropylbutan-2-ylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 63995405
N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 63754459
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 113307943
1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
CID 63757516
1,3-dimethyl-5-(octan-2-ylamino)pyrazole-4-carbothioamide
CID 63756698
2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
CID 79522229
5-(butan-2-ylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756143

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide (CID 65192892) is 5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide is CCCC(CN)Nc1c(C(N)=O)c(C)nn1C.
What is the InChIKey of 5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is VGYQOVLHIROOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-5-8(6-12)14-11-9(10(13)17)7(2)15-16(11)3/h8,14H,4-6,12H2,1-3H3,(H2,13,17).
What are the key properties of 5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide?
5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopentan-2-ylamino)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 65192892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).