2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide

C19H26N4O — CID 119894640

IUPAC2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)CNCC3CC3)cc2)n1
InChIInChI=1S/C19H26N4O/c1-13-10-14(2)23(22-13)18-8-6-17(7-9-18)15(3)21-19(24)12-20-11-16-4-5-16/h6-10,15-16,20H,4-5,11-12H2,1-3H3,(H,21,24)
InChIKeyNYFFQFUIDOXORE-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.67
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide

2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 119894640) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
PubChem CID119894640
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)CNCC3CC3)cc2)n1
InChIInChI=1S/C19H26N4O/c1-13-10-14(2)23(22-13)18-8-6-17(7-9-18)15(3)21-19(24)12-20-11-16-4-5-16/h6-10,15-16,20H,4-5,11-12H2,1-3H3,(H,21,24)
InChIKeyNYFFQFUIDOXORE-UHFFFAOYSA-N
XLogP2.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
CID 120565817
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
CID 119894668
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
1-[[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124591003
N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylacetamide
CID 97031370
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894609
3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504201
(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide
CID 95971898
2-(cyclopropylmethylamino)-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]acetamide
CID 119750150
(2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide
CID 97031376
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 71873153

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide (CID 119894640) is 2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide is Cc1cc(C)n(-c2ccc(C(C)NC(=O)CNCC3CC3)cc2)n1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is NYFFQFUIDOXORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-10-14(2)23(22-13)18-8-6-17(7-9-18)15(3)21-19(24)12-20-11-16-4-5-16/h6-10,15-16,20H,4-5,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide?
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 119894640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).