4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide

C10H15N7O — CID 113412354

IUPAC4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCn1ccnn1
InChIInChI=1S/C10H15N7O/c1-2-17-9(8(11)7-14-17)10(18)12-3-5-16-6-4-13-15-16/h4,6-7H,2-3,5,11H2,1H3,(H,12,18)
InChIKeyPURFOMNCXMSCMN-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.49
Rot. Bonds5

About 4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 113412354) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide
PubChem CID113412354
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCn1ccnn1
InChIInChI=1S/C10H15N7O/c1-2-17-9(8(11)7-14-17)10(18)12-3-5-16-6-4-13-15-16/h4,6-7H,2-3,5,11H2,1H3,(H,12,18)
InChIKeyPURFOMNCXMSCMN-UHFFFAOYSA-N
XLogP-0.49
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415390
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415399
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-4-nitropyrazole-3-carboxamide
CID 698777
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415406
4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415434

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide (CID 113412354) is 4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCCn1ccnn1.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is PURFOMNCXMSCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-2-17-9(8(11)7-14-17)10(18)12-3-5-16-6-4-13-15-16/h4,6-7H,2-3,5,11H2,1H3,(H,12,18).
What are the key properties of 4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 249.28 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 113412354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).