4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride

C17H27Cl2N5O — CID 120565710

IUPAC4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C17H25N5O.2ClH/c1-13(18)9-10-17(23)20-11-5-6-14-12-16(19)22(21-14)15-7-3-2-4-8-15;;/h2-4,7-8,12-13H,5-6,9-11,18-19H2,1H3,(H,20,23);2*1H
InChIKeyFOKCMDQVJLFHEF-UHFFFAOYSA-N
MW388.34 g/mol
LogP2.47
Rot. Bonds8

About 4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride

4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride (PubChem CID 120565710) has the molecular formula C17H27Cl2N5O and a molecular weight of 388.34 g/mol. Its IUPAC name is 4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride
PubChem CID120565710
Molecular FormulaC17H27Cl2N5O
Molecular Weight388.34 g/mol
Exact Mass387.16
IUPAC Name4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C17H25N5O.2ClH/c1-13(18)9-10-17(23)20-11-5-6-14-12-16(19)22(21-14)15-7-3-2-4-8-15;;/h2-4,7-8,12-13H,5-6,9-11,18-19H2,1H3,(H,20,23);2*1H
InChIKeyFOKCMDQVJLFHEF-UHFFFAOYSA-N
XLogP2.47
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.47
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

(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]-4-(methylamino)butanamide
CID 119890521
(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]-4-methylpentanamide;dihydrochloride
CID 119890586
3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide
CID 119890535
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119890557
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119890522
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119890576
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119890563
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide
CID 86894026
1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890537

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride (CID 120565710) is 4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride?
The InChIKey is FOKCMDQVJLFHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.2ClH/c1-13(18)9-10-17(23)20-11-5-6-14-12-16(19)22(21-14)15-7-3-2-4-8-15;;/h2-4,7-8,12-13H,5-6,9-11,18-19H2,1H3,(H,20,23);2*1H.
What are the key properties of 4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride?
4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride has a molecular weight of 388.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120565710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).