2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride

C17H23Cl2N5O2 — CID 119878715

IUPAC2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NC(C(=O)Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C17H21N5O2.2ClH/c23-15(11-13-7-4-9-18-13)21-16(12-5-2-1-3-6-12)17(24)20-14-8-10-19-22-14;;/h1-3,5-6,8,10,13,16,18H,4,7,9,11H2,(H,21,23)(H2,19,20,22,24);2*1H
InChIKeyQKOHDPKJSQNRJH-UHFFFAOYSA-N
MW400.31 g/mol
LogP2.19
Rot. Bonds6

About 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride

2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride (PubChem CID 119878715) has the molecular formula C17H23Cl2N5O2 and a molecular weight of 400.31 g/mol. Its IUPAC name is 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride
PubChem CID119878715
Molecular FormulaC17H23Cl2N5O2
Molecular Weight400.31 g/mol
Exact Mass399.12
IUPAC Name2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NC(C(=O)Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C17H21N5O2.2ClH/c23-15(11-13-7-4-9-18-13)21-16(12-5-2-1-3-6-12)17(24)20-14-8-10-19-22-14;;/h1-3,5-6,8,10,13,16,18H,4,7,9,11H2,(H,21,23)(H2,19,20,22,24);2*1H
InChIKeyQKOHDPKJSQNRJH-UHFFFAOYSA-N
XLogP2.19
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride with MolForge

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Related Compounds

methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
CID 119707961
(2R)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151754
(2S)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151753
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 71931463
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide
CID 122144672
N-(2-phenoxy-1-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 119779882
N,3-diphenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119780429
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119878694
N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride?
The IUPAC name of 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride (CID 119878715) is 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride.
What is the SMILES notation for 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride?
The canonical SMILES for 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)NC(C(=O)Nc1ccn[nH]1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride?
The InChIKey is QKOHDPKJSQNRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.2ClH/c23-15(11-13-7-4-9-18-13)21-16(12-5-2-1-3-6-12)17(24)20-14-8-10-19-22-14;;/h1-3,5-6,8,10,13,16,18H,4,7,9,11H2,(H,21,23)(H2,19,20,22,24);2*1H.
What are the key properties of 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride?
2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride has a molecular weight of 400.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride is sourced from PubChem (CID 119878715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).