4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide

C12H21N5O — CID 63102669

IUPAC4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCCCN1CCCCC1
InChIInChI=1S/C12H21N5O/c13-10-9-15-16-11(10)12(18)14-5-4-8-17-6-2-1-3-7-17/h9H,1-8,13H2,(H,14,18)(H,15,16)
InChIKeyCDSYPNALDSWFHI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.60
Rot. Bonds5

About 4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide

4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 63102669) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID63102669
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCCCN1CCCCC1
InChIInChI=1S/C12H21N5O/c13-10-9-15-16-11(10)12(18)14-5-4-8-17-6-2-1-3-7-17/h9H,1-8,13H2,(H,14,18)(H,15,16)
InChIKeyCDSYPNALDSWFHI-UHFFFAOYSA-N
XLogP0.60
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433
5-amino-2-methyl-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61118452
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
4-amino-N-(2-cyclopentyloxyethyl)-1H-pyrazole-5-carboxamide
CID 55260674
4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 78833399
2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide
CID 110467554
2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661
4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 55178218
N-(3-piperidin-1-ylpropyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954247
2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114917609

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide (CID 63102669) is 4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)NCCCN1CCCCC1.
What is the InChIKey of 4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CDSYPNALDSWFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-10-9-15-16-11(10)12(18)14-5-4-8-17-6-2-1-3-7-17/h9H,1-8,13H2,(H,14,18)(H,15,16).
What are the key properties of 4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63102669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).