2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride

C18H25ClN4O — CID 119812822

IUPAC2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)CNCC2CC2)n1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-9-14(2)22(21-13)17-6-4-3-5-16(17)11-20-18(23)12-19-10-15-7-8-15;/h3-6,9,15,19H,7-8,10-12H2,1-2H3,(H,20,23);1H
InChIKeyOETXTHAYXLYEAM-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.53
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119812822) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride
PubChem CID119812822
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)CNCC2CC2)n1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-9-14(2)22(21-13)17-6-4-3-5-16(17)11-20-18(23)12-19-10-15-7-8-15;/h3-6,9,15,19H,7-8,10-12H2,1-2H3,(H,20,23);1H
InChIKeyOETXTHAYXLYEAM-UHFFFAOYSA-N
XLogP2.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119812807
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
CID 119812835
1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
CID 75381169
(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119340285
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119812811
(3R)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068501
(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068500
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812800
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812798
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
2-(cyclopropylmethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide;hydrochloride
CID 119688191
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide
CID 167792453

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride (CID 119812822) is 2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride is Cc1cc(C)n(-c2ccccc2CNC(=O)CNCC2CC2)n1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is OETXTHAYXLYEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-13-9-14(2)22(21-13)17-6-4-3-5-16(17)11-20-18(23)12-19-10-15-7-8-15;/h3-6,9,15,19H,7-8,10-12H2,1-2H3,(H,20,23);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119812822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).