5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide

C11H18N4O — CID 103940231

IUPAC5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCCC1(CNC(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C11H18N4O/c1-3-11(4-5-11)7-13-10(16)8-6-14-15(2)9(8)12/h6H,3-5,7,12H2,1-2H3,(H,13,16)
InChIKeyDILCCFHKFXOLDZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.92
Rot. Bonds4

About 5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 103940231) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID103940231
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCCC1(CNC(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C11H18N4O/c1-3-11(4-5-11)7-13-10(16)8-6-14-15(2)9(8)12/h6H,3-5,7,12H2,1-2H3,(H,13,16)
InChIKeyDILCCFHKFXOLDZ-UHFFFAOYSA-N
XLogP0.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 104591802
5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
CID 104625668
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
4-amino-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-3-carboxamide
CID 114101892
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
(5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 113288623
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694
5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330307
5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide
CID 104586972

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide (CID 103940231) is 5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide is CCC1(CNC(=O)c2cnn(C)c2N)CC1.
What is the InChIKey of 5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is DILCCFHKFXOLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-11(4-5-11)7-13-10(16)8-6-14-15(2)9(8)12/h6H,3-5,7,12H2,1-2H3,(H,13,16).
What are the key properties of 5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 103940231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).