N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide

C17H25N5O — CID 119890521

IUPACN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C17H25N5O/c1-19-11-6-10-17(23)20-12-5-7-14-13-16(18)22(21-14)15-8-3-2-4-9-15/h2-4,8-9,13,19H,5-7,10-12,18H2,1H3,(H,20,23)
InChIKeyCNHALLRTASRGIS-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.50
Rot. Bonds9

About N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide

N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide (PubChem CID 119890521) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide
PubChem CID119890521
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C17H25N5O/c1-19-11-6-10-17(23)20-12-5-7-14-13-16(18)22(21-14)15-8-3-2-4-9-15/h2-4,8-9,13,19H,5-7,10-12,18H2,1H3,(H,20,23)
InChIKeyCNHALLRTASRGIS-UHFFFAOYSA-N
XLogP1.50
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
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

4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride
CID 120565710
2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride
CID 119890560
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119890557
1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890537
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119890576
(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
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]-3-piperidin-4-ylbutanamide
CID 119890563
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]-4-methylsulfanylbutanamide;dihydrochloride
CID 119890522

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide (CID 119890521) is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide is CNCCCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1.
What is the InChIKey of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide?
The InChIKey is CNHALLRTASRGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-19-11-6-10-17(23)20-12-5-7-14-13-16(18)22(21-14)15-8-3-2-4-9-15/h2-4,8-9,13,19H,5-7,10-12,18H2,1H3,(H,20,23).
What are the key properties of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide?
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide has a molecular weight of 315.42 g/mol, XLogP of 1.50, 9 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]-4-(methylamino)butanamide is sourced from PubChem (CID 119890521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).