4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide

C12H18N6O — CID 19620425

IUPAC4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCc1cn(C)nc1C
InChIInChI=1S/C12H18N6O/c1-4-18-11(10(13)6-15-18)12(19)14-5-9-7-17(3)16-8(9)2/h6-7H,4-5,13H2,1-3H3,(H,14,19)
InChIKeyQJVLUZQFDDSZSD-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.46
Rot. Bonds4

About 4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide

4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 19620425) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide
PubChem CID19620425
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCc1cn(C)nc1C
InChIInChI=1S/C12H18N6O/c1-4-18-11(10(13)6-15-18)12(19)14-5-9-7-17(3)16-8(9)2/h6-7H,4-5,13H2,1-3H3,(H,14,19)
InChIKeyQJVLUZQFDDSZSD-UHFFFAOYSA-N
XLogP0.46
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide
CID 114954354
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 19475026
4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 65358559
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 112671835
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 19620445
4-amino-1-ethyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-5-carboxamide
CID 81170060
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide (CID 19620425) is 4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCc1cn(C)nc1C.
What is the InChIKey of 4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is QJVLUZQFDDSZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-18-11(10(13)6-15-18)12(19)14-5-9-7-17(3)16-8(9)2/h6-7H,4-5,13H2,1-3H3,(H,14,19).
What are the key properties of 4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide?
4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19620425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).