N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide

C18H23N5O2 — CID 135118861

IUPACN-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)CN(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C18H23N5O2/c1-12(24)19-15-5-3-4-6-16(15)20-18(25)11-23(2)10-14-9-17(22-21-14)13-7-8-13/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyUMOXAWVFSHVWSB-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.32
Rot. Bonds7

About N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide

N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide (PubChem CID 135118861) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide
PubChem CID135118861
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)CN(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C18H23N5O2/c1-12(24)19-15-5-3-4-6-16(15)20-18(25)11-23(2)10-14-9-17(22-21-14)13-7-8-13/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyUMOXAWVFSHVWSB-UHFFFAOYSA-N
XLogP2.32
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 154887169
4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50966519
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 47073273
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine
CID 50965380
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride
CID 154895225
2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid
CID 72916606
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 50984517
N-(2-acetamidophenyl)propanamide
CID 885895
5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56758151
1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)methanamine
CID 28783972
N-(2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702343

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide (CID 135118861) is N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide is CC(=O)Nc1ccccc1NC(=O)CN(C)Cc1cc(C2CC2)n[nH]1.
What is the InChIKey of N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide?
The InChIKey is UMOXAWVFSHVWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(24)19-15-5-3-4-6-16(15)20-18(25)11-23(2)10-14-9-17(22-21-14)13-7-8-13/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,24)(H,20,25)(H,21,22).
What are the key properties of N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide?
N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide has a molecular weight of 341.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 135118861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).