4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide

C10H15N7O — CID 65362863

IUPAC4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCCc2ncn[nH]2)n1
InChIInChI=1S/C10H15N7O/c1-2-17-5-7(11)9(16-17)10(18)12-4-3-8-13-6-14-15-8/h5-6H,2-4,11H2,1H3,(H,12,18)(H,13,14,15)
InChIKeyBVUWYTGEWMWTGS-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.42
Rot. Bonds5

About 4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide

4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 65362863) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
PubChem CID65362863
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCCc2ncn[nH]2)n1
InChIInChI=1S/C10H15N7O/c1-2-17-5-7(11)9(16-17)10(18)12-4-3-8-13-6-14-15-8/h5-6H,2-4,11H2,1H3,(H,12,18)(H,13,14,15)
InChIKeyBVUWYTGEWMWTGS-UHFFFAOYSA-N
XLogP-0.42
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide (CID 65362863) is 4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCCc2ncn[nH]2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is BVUWYTGEWMWTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-2-17-5-7(11)9(16-17)10(18)12-4-3-8-13-6-14-15-8/h5-6H,2-4,11H2,1H3,(H,12,18)(H,13,14,15).
What are the key properties of 4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 249.28 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65362863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).