N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide

C18H25N5O — CID 119890509

IUPACN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide
SMILESNc1cc(CCCNC(=O)C2CCCNC2)nn1-c1ccccc1
InChIInChI=1S/C18H25N5O/c19-17-12-15(22-23(17)16-8-2-1-3-9-16)7-5-11-21-18(24)14-6-4-10-20-13-14/h1-3,8-9,12,14,20H,4-7,10-11,13,19H2,(H,21,24)
InChIKeyPEIWAMSTEVOHSP-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.50
Rot. Bonds6

About N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide

N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide (PubChem CID 119890509) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide
PubChem CID119890509
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide
SMILESNc1cc(CCCNC(=O)C2CCCNC2)nn1-c1ccccc1
InChIInChI=1S/C18H25N5O/c19-17-12-15(22-23(17)16-8-2-1-3-9-16)7-5-11-21-18(24)14-6-4-10-20-13-14/h1-3,8-9,12,14,20H,4-7,10-11,13,19H2,(H,21,24)
InChIKeyPEIWAMSTEVOHSP-UHFFFAOYSA-N
XLogP1.50
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.50
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

3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890529
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119890544
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119890563
1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890537
2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride
CID 119890560
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86829175
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 86829174
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide
CID 119890553
(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]-2-methyl-3-(methylamino)propanamide
CID 119890557
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide (CID 119890509) is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide is Nc1cc(CCCNC(=O)C2CCCNC2)nn1-c1ccccc1.
What is the InChIKey of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide?
The InChIKey is PEIWAMSTEVOHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-17-12-15(22-23(17)16-8-2-1-3-9-16)7-5-11-21-18(24)14-6-4-10-20-13-14/h1-3,8-9,12,14,20H,4-7,10-11,13,19H2,(H,21,24).
What are the key properties of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide?
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.50, 6 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]piperidine-3-carboxamide is sourced from PubChem (CID 119890509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).