3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride

C15H21ClN4O2 — CID 119951054

IUPAC3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
SMILESCOCCn1ccc(NC(=O)CC(N)c2ccccc2)n1.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-21-10-9-19-8-7-14(18-19)17-15(20)11-13(16)12-5-3-2-4-6-12;/h2-8,13H,9-11,16H2,1H3,(H,17,18,20);1H
InChIKeyDQQPOBXAKDDVNG-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.98
Rot. Bonds7

About 3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride (PubChem CID 119951054) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
PubChem CID119951054
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
SMILESCOCCn1ccc(NC(=O)CC(N)c2ccccc2)n1.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-21-10-9-19-8-7-14(18-19)17-15(20)11-13(16)12-5-3-2-4-6-12;/h2-8,13H,9-11,16H2,1H3,(H,17,18,20);1H
InChIKeyDQQPOBXAKDDVNG-UHFFFAOYSA-N
XLogP1.98
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate
CID 119950382
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CID 118519251
(2R)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 95328936
2-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]pentanamide;hydrochloride
CID 119314328
7-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]heptanamide;hydrochloride
CID 119767680
2-(1-benzylpyrazol-4-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 166259503
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
CID 166380020
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide
CID 120630096
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
CID 86804008
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride (CID 119951054) is 3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride is COCCn1ccc(NC(=O)CC(N)c2ccccc2)n1.Cl.
What is the InChIKey of 3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride?
The InChIKey is DQQPOBXAKDDVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c1-21-10-9-19-8-7-14(18-19)17-15(20)11-13(16)12-5-3-2-4-6-12;/h2-8,13H,9-11,16H2,1H3,(H,17,18,20);1H.
What are the key properties of 3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).