5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide

C12H20N4O — CID 104591802

IUPAC5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide
SMILESCCCC1(CNC(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C12H20N4O/c1-3-4-12(5-6-12)8-14-11(17)9-7-15-16(2)10(9)13/h7H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyWQINYHFISGYYMK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.31
Rot. Bonds5

About 5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide

5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide (PubChem CID 104591802) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide
PubChem CID104591802
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide
SMILESCCCC1(CNC(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C12H20N4O/c1-3-4-12(5-6-12)8-14-11(17)9-7-15-16(2)10(9)13/h7H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyWQINYHFISGYYMK-UHFFFAOYSA-N
XLogP1.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
CID 103940231
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583
5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
CID 104625668
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 104928029
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
5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide
CID 103528129
6-amino-N-[(1-propylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 114101902

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide (CID 104591802) is 5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide is CCCC1(CNC(=O)c2cnn(C)c2N)CC1.
What is the InChIKey of 5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide?
The InChIKey is WQINYHFISGYYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-4-12(5-6-12)8-14-11(17)9-7-15-16(2)10(9)13/h7H,3-6,8,13H2,1-2H3,(H,14,17).
What are the key properties of 5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide?
5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 104591802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).