2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide

C16H19ClN4O2 — CID 138032035

IUPAC2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cn[nH]c2C2CCNC2)c1Cl
InChIInChI=1S/C16H19ClN4O2/c1-23-13-4-2-3-10(15(13)17)7-14(22)20-12-9-19-21-16(12)11-5-6-18-8-11/h2-4,9,11,18H,5-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyIAFKIFYPOOHGKE-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.33
Rot. Bonds5

About 2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide

2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide (PubChem CID 138032035) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
PubChem CID138032035
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cn[nH]c2C2CCNC2)c1Cl
InChIInChI=1S/C16H19ClN4O2/c1-23-13-4-2-3-10(15(13)17)7-14(22)20-12-9-19-21-16(12)11-5-6-18-8-11/h2-4,9,11,18H,5-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyIAFKIFYPOOHGKE-UHFFFAOYSA-N
XLogP2.33
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 167879678
2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 167750295
3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide
CID 138032018
2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 154854680
N-(2-methoxyphenyl)-2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835117
N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120835126
1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
CID 166292729
N-[2-methoxy-6-(piperidin-4-ylmethyl)phenyl]acetamide
CID 117410784
2-(2,6-dimethoxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119452551
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methoxyphenyl)acetamide
CID 112697113
N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95713844
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide
CID 172895402

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide (CID 138032035) is 2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide is COc1cccc(CC(=O)Nc2cn[nH]c2C2CCNC2)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The InChIKey is IAFKIFYPOOHGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-23-13-4-2-3-10(15(13)17)7-14(22)20-12-9-19-21-16(12)11-5-6-18-8-11/h2-4,9,11,18H,5-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide has a molecular weight of 334.81 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 138032035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).