5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide

C10H19N5O — CID 63757522

IUPAC5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC(N)CNc1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C10H19N5O/c1-4-7(11)5-13-10-8(9(12)16)6(2)14-15(10)3/h7,13H,4-5,11H2,1-3H3,(H2,12,16)
InChIKeyYUOORHQOZOFRJT-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.02
Rot. Bonds5

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

5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 63757522) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID63757522
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC(N)CNc1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C10H19N5O/c1-4-7(11)5-13-10-8(9(12)16)6(2)14-15(10)3/h7,13H,4-5,11H2,1-3H3,(H2,12,16)
InChIKeyYUOORHQOZOFRJT-UHFFFAOYSA-N
XLogP-0.02
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539334
N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-3,3-dimethylbutanamide
CID 53541117
N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-2-methylbutanamide
CID 53546486
3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide
CID 56822598
4-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-methylbutanamide
CID 56822609
3-[3-methyl-4-oxo-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 135415516
5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 136545256
3-(Difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide
CID 66901616
2-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136428059
6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 138705362
5-Amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 145463398
3-ethynyl-1-[(3S,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380826

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide (CID 63757522) is 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide is CCC(N)CNc1c(C(N)=O)c(C)nn1C.
What is the InChIKey of 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is YUOORHQOZOFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-7(11)5-13-10-8(9(12)16)6(2)14-15(10)3/h7,13H,4-5,11H2,1-3H3,(H2,12,16).
What are the key properties of 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide?
5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 225.30 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63757522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).