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

C12H21N5O — CID 63103599

IUPAC4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2[nH]ncc2N)C1
InChIInChI=1S/C12H21N5O/c1-8(2)17-4-3-9(7-17)5-14-12(18)11-10(13)6-15-16-11/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyWUZSXHLZTGTDND-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.45
Rot. Bonds4

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

4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 63103599) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID63103599
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2[nH]ncc2N)C1
InChIInChI=1S/C12H21N5O/c1-8(2)17-4-3-9(7-17)5-14-12(18)11-10(13)6-15-16-11/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyWUZSXHLZTGTDND-UHFFFAOYSA-N
XLogP0.45
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 55178218
4-amino-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243278
5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 115330698
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
5-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 107374811
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
1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 94823029
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide (CID 63103599) is 4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide is CC(C)N1CCC(CNC(=O)c2[nH]ncc2N)C1.
What is the InChIKey of 4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WUZSXHLZTGTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)17-4-3-9(7-17)5-14-12(18)11-10(13)6-15-16-11/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).