N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide

C18H23N5O3 — CID 72872136

IUPACN-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)N(Cc2cnn(C)c2)C2CC2)cc1NC(C)=O
InChIInChI=1S/C18H23N5O3/c1-12(24)20-16-8-14(4-7-17(16)26-3)21-18(25)23(15-5-6-15)11-13-9-19-22(2)10-13/h4,7-10,15H,5-6,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyLLDNGIKRXVRXJU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.58
Rot. Bonds6

About N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide

N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide (PubChem CID 72872136) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
PubChem CID72872136
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)N(Cc2cnn(C)c2)C2CC2)cc1NC(C)=O
InChIInChI=1S/C18H23N5O3/c1-12(24)20-16-8-14(4-7-17(16)26-3)21-18(25)23(15-5-6-15)11-13-9-19-22(2)10-13/h4,7-10,15H,5-6,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyLLDNGIKRXVRXJU-UHFFFAOYSA-N
XLogP2.58
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 47813010
3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 72929949
1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea
CID 87009003
1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 122565755
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 19576925
N-[5-[[benzyl(ethyl)carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 51080356
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620419
N-(5-acetamido-2-methoxyphenyl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 16820968
N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 72846941
N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide
CID 166288275

Frequently Asked Questions

What is the IUPAC name of N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide (CID 72872136) is N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide is COc1ccc(NC(=O)N(Cc2cnn(C)c2)C2CC2)cc1NC(C)=O.
What is the InChIKey of N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide?
The InChIKey is LLDNGIKRXVRXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12(24)20-16-8-14(4-7-17(16)26-3)21-18(25)23(15-5-6-15)11-13-9-19-22(2)10-13/h4,7-10,15H,5-6,11H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide?
N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 72872136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).