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

C18H25N5O — CID 119890537

IUPAC1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
SMILESNc1cc(CCCNC(=O)C2(N)CCCC2)nn1-c1ccccc1
InChIInChI=1S/C18H25N5O/c19-16-13-14(22-23(16)15-8-2-1-3-9-15)7-6-12-21-17(24)18(20)10-4-5-11-18/h1-3,8-9,13H,4-7,10-12,19-20H2,(H,21,24)
InChIKeyAEAFLNJOALOWPY-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.77
Rot. Bonds6

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

1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide (PubChem CID 119890537) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
PubChem CID119890537
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
SMILESNc1cc(CCCNC(=O)C2(N)CCCC2)nn1-c1ccccc1
InChIInChI=1S/C18H25N5O/c19-16-13-14(22-23(16)15-8-2-1-3-9-15)7-6-12-21-17(24)18(20)10-4-5-11-18/h1-3,8-9,13H,4-7,10-12,19-20H2,(H,21,24)
InChIKeyAEAFLNJOALOWPY-UHFFFAOYSA-N
XLogP1.77
TPSA98.96 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 ≤ 51.77
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

N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide
CID 119890521
2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride
CID 119890560
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120647153
(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
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]piperidine-3-carboxamide
CID 119890509
4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride
CID 120565710
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

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide (CID 119890537) is 1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide is Nc1cc(CCCNC(=O)C2(N)CCCC2)nn1-c1ccccc1.
What is the InChIKey of 1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide?
The InChIKey is AEAFLNJOALOWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-16-13-14(22-23(16)15-8-2-1-3-9-15)7-6-12-21-17(24)18(20)10-4-5-11-18/h1-3,8-9,13H,4-7,10-12,19-20H2,(H,21,24).
What are the key properties of 1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119890537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).