5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide

C8H10N8O2 — CID 148913270

IUPAC5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1Nc1n[nH]c(N)c1C(N)=O
InChIInChI=1S/C8H10N8O2/c9-4-3(6(11)18)8(16-14-4)13-7-2(5(10)17)1-12-15-7/h1H,(H2,10,17)(H2,11,18)(H5,9,12,13,14,15,16)
InChIKeyPJBBSZWERIISMP-UHFFFAOYSA-N
MW250.22 g/mol
LogP-1.34
Rot. Bonds4

About 5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide

5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide (PubChem CID 148913270) has the molecular formula C8H10N8O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide
PubChem CID148913270
Molecular FormulaC8H10N8O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1Nc1n[nH]c(N)c1C(N)=O
InChIInChI=1S/C8H10N8O2/c9-4-3(6(11)18)8(16-14-4)13-7-2(5(10)17)1-12-15-7/h1H,(H2,10,17)(H2,11,18)(H5,9,12,13,14,15,16)
InChIKeyPJBBSZWERIISMP-UHFFFAOYSA-N
XLogP-1.34
TPSA181.59 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide (CID 148913270) is 5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1Nc1n[nH]c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide?
The InChIKey is PJBBSZWERIISMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8O2/c9-4-3(6(11)18)8(16-14-4)13-7-2(5(10)17)1-12-15-7/h1H,(H2,10,17)(H2,11,18)(H5,9,12,13,14,15,16).
What are the key properties of 5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide?
5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide has a molecular weight of 250.22 g/mol, XLogP of -1.34, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 148913270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).