5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide

C10H15N7O — CID 79531367

IUPAC5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(NCc2cn[nH]c2N)c1C(N)=O
InChIInChI=1S/C10H15N7O/c1-5-7(9(12)18)10(17(2)16-5)13-3-6-4-14-15-8(6)11/h4,13H,3H2,1-2H3,(H2,12,18)(H3,11,14,15)
InChIKeyBNCOLXJDAWNYND-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.26
Rot. Bonds4

About 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide

5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 79531367) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID79531367
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(NCc2cn[nH]c2N)c1C(N)=O
InChIInChI=1S/C10H15N7O/c1-5-7(9(12)18)10(17(2)16-5)13-3-6-4-14-15-8(6)11/h4,13H,3H2,1-2H3,(H2,12,18)(H3,11,14,15)
InChIKeyBNCOLXJDAWNYND-UHFFFAOYSA-N
XLogP-0.26
TPSA127.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 114140001
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 113307943
1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide
CID 63757179
5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
CID 63757522
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid
CID 63756272
1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
CID 63757516
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
7-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]heptanoic acid
CID 63757140
2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid
CID 65226774
1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide
CID 63758205
5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide
CID 63757857
1,3-dimethyl-5-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrazole-4-carbothioamide
CID 114127843

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide (CID 79531367) is 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(NCc2cn[nH]c2N)c1C(N)=O.
What is the InChIKey of 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is BNCOLXJDAWNYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-5-7(9(12)18)10(17(2)16-5)13-3-6-4-14-15-8(6)11/h4,13H,3H2,1-2H3,(H2,12,18)(H3,11,14,15).
What are the key properties of 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide?
5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 249.28 g/mol, XLogP of -0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 79531367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).