2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride

C14H21Cl2N5O — CID 119890560

IUPAC2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C14H19N5O.2ClH/c15-10-14(20)17-8-4-5-11-9-13(16)19(18-11)12-6-2-1-3-7-12;;/h1-3,6-7,9H,4-5,8,10,15-16H2,(H,17,20);2*1H
InChIKeyCDBNNFRCQZIQJY-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.31
Rot. Bonds6

About 2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride

2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride (PubChem CID 119890560) has the molecular formula C14H21Cl2N5O and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride
PubChem CID119890560
Molecular FormulaC14H21Cl2N5O
Molecular Weight346.26 g/mol
Exact Mass345.11
IUPAC Name2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C14H19N5O.2ClH/c15-10-14(20)17-8-4-5-11-9-13(16)19(18-11)12-6-2-1-3-7-12;;/h1-3,6-7,9H,4-5,8,10,15-16H2,(H,17,20);2*1H
InChIKeyCDBNNFRCQZIQJY-UHFFFAOYSA-N
XLogP1.31
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.31
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
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide
CID 119890521
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;dihydrochloride
CID 119890552
(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]-4-methylpentanamide;dihydrochloride
CID 119890586
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-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-methylsulfanylbutanamide;dihydrochloride
CID 119890522
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride (CID 119890560) is 2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride is Cl.Cl.NCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1.
What is the InChIKey of 2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride?
The InChIKey is CDBNNFRCQZIQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.2ClH/c15-10-14(20)17-8-4-5-11-9-13(16)19(18-11)12-6-2-1-3-7-12;;/h1-3,6-7,9H,4-5,8,10,15-16H2,(H,17,20);2*1H.
What are the key properties of 2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride?
2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride is sourced from PubChem (CID 119890560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).