5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide

C13H23N5O — CID 115330698

IUPAC5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2cnn(C)c2N)C1
InChIInChI=1S/C13H23N5O/c1-9(2)18-5-4-10(8-18)6-15-13(19)11-7-16-17(3)12(11)14/h7,9-10H,4-6,8,14H2,1-3H3,(H,15,19)
InChIKeyPGHUFZYHGYXWRV-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.46
Rot. Bonds4

About 5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide

5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 115330698) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID115330698
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2cnn(C)c2N)C1
InChIInChI=1S/C13H23N5O/c1-9(2)18-5-4-10(8-18)6-15-13(19)11-7-16-17(3)12(11)14/h7,9-10H,4-6,8,14H2,1-3H3,(H,15,19)
InChIKeyPGHUFZYHGYXWRV-UHFFFAOYSA-N
XLogP0.46
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330664
4-amino-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243278
4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 63103599
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 95204324
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 94823029
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide (CID 115330698) is 5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide is CC(C)N1CCC(CNC(=O)c2cnn(C)c2N)C1.
What is the InChIKey of 5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is PGHUFZYHGYXWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9(2)18-5-4-10(8-18)6-15-13(19)11-7-16-17(3)12(11)14/h7,9-10H,4-6,8,14H2,1-3H3,(H,15,19).
What are the key properties of 5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide?
5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 115330698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).