4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide

C12H21N5O — CID 107109443

IUPAC4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C12H21N5O/c1-9(2)14-12(18)16-6-3-10(4-7-16)17-8-5-11(13)15-17/h5,8-10H,3-4,6-7H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyWEEWPRTXLPIPKW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.22
Rot. Bonds2

About 4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide

4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 107109443) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID107109443
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C12H21N5O/c1-9(2)14-12(18)16-6-3-10(4-7-16)17-8-5-11(13)15-17/h5,8-10H,3-4,6-7H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyWEEWPRTXLPIPKW-UHFFFAOYSA-N
XLogP1.22
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107175008
4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 107109508
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
CID 107108865
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
CID 107109068
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one
CID 107109138
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
CID 107108689
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 107110032
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 107109733
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 107109147
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 107109025

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide (CID 107109443) is 4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of 4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is WEEWPRTXLPIPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(2)14-12(18)16-6-3-10(4-7-16)17-8-5-11(13)15-17/h5,8-10H,3-4,6-7H2,1-2H3,(H2,13,15)(H,14,18).
What are the key properties of 4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide?
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 107109443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).