N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide

C21H31N5O — CID 119890563

IUPACN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCCc1cc(N)n(-c2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C21H31N5O/c1-16(17-9-12-23-13-10-17)14-21(27)24-11-5-6-18-15-20(22)26(25-18)19-7-3-2-4-8-19/h2-4,7-8,15-17,23H,5-6,9-14,22H2,1H3,(H,24,27)
InChIKeyNVUIENZLDLHRHL-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.53
Rot. Bonds8

About N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide

N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide (PubChem CID 119890563) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide
PubChem CID119890563
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCCc1cc(N)n(-c2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C21H31N5O/c1-16(17-9-12-23-13-10-17)14-21(27)24-11-5-6-18-15-20(22)26(25-18)19-7-3-2-4-8-19/h2-4,7-8,15-17,23H,5-6,9-14,22H2,1H3,(H,24,27)
InChIKeyNVUIENZLDLHRHL-UHFFFAOYSA-N
XLogP2.53
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride
CID 120565710
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide
CID 119890553
2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride
CID 119890560
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide;dihydrochloride
CID 119890552
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide
CID 119890509
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120647153
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119890557
3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide
CID 119890535
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-methylpentanamide;dihydrochloride
CID 119890586
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119890576
3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890529
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide (CID 119890563) is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCCc1cc(N)n(-c2ccccc2)n1)C1CCNCC1.
What is the InChIKey of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide?
The InChIKey is NVUIENZLDLHRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-16(17-9-12-23-13-10-17)14-21(27)24-11-5-6-18-15-20(22)26(25-18)19-7-3-2-4-8-19/h2-4,7-8,15-17,23H,5-6,9-14,22H2,1H3,(H,24,27).
What are the key properties of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide?
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide has a molecular weight of 369.51 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119890563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).