4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide

C10H15N7O — CID 66123952

IUPAC4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ncn[nH]2)c1N
InChIInChI=1S/C10H15N7O/c1-3-6-8(11)9(17(2)16-6)10(18)12-4-7-13-5-14-15-7/h5H,3-4,11H2,1-2H3,(H,12,18)(H,13,14,15)
InChIKeyXSEMKAWHUXIQPS-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.39
Rot. Bonds4

About 4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide (PubChem CID 66123952) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide
PubChem CID66123952
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ncn[nH]2)c1N
InChIInChI=1S/C10H15N7O/c1-3-6-8(11)9(17(2)16-6)10(18)12-4-7-13-5-14-15-7/h5H,3-4,11H2,1-2H3,(H,12,18)(H,13,14,15)
InChIKeyXSEMKAWHUXIQPS-UHFFFAOYSA-N
XLogP-0.39
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66123758
4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
CID 66116333
4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115405271
4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66122977
4-amino-3-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1-methylpyrazole-5-carboxamide
CID 66116760
4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123377
4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66119082
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124345
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122995
tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate
CID 104932662
1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine
CID 66018322
4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
CID 106006154

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide (CID 66123952) is 4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2ncn[nH]2)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is XSEMKAWHUXIQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-3-6-8(11)9(17(2)16-6)10(18)12-4-7-13-5-14-15-7/h5H,3-4,11H2,1-2H3,(H,12,18)(H,13,14,15).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 249.28 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66123952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).