1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide

C16H19ClN4O2 — CID 120946465

IUPAC1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CNCC2O)cnn1-c1ccccc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-10-12(16(23)19-7-11-6-18-9-15(11)22)8-20-21(10)14-5-3-2-4-13(14)17/h2-5,8,11,15,18,22H,6-7,9H2,1H3,(H,19,23)
InChIKeyIMMORHAYSJLKQI-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.14
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide

1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 120946465) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide
PubChem CID120946465
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CNCC2O)cnn1-c1ccccc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-10-12(16(23)19-7-11-6-18-9-15(11)22)8-20-21(10)14-5-3-2-4-13(14)17/h2-5,8,11,15,18,22H,6-7,9H2,1H3,(H,19,23)
InChIKeyIMMORHAYSJLKQI-UHFFFAOYSA-N
XLogP1.14
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 120948347
1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120944170
1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818120
1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
CID 99122312
1-(2-chlorophenyl)-5-methyl-N-(thian-4-yl)pyrazole-4-carboxamide
CID 56788134
1-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 120948679
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120947622
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510623
5-ethyl-1-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947390
N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 60566225
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645720

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide (CID 120946465) is 1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCC2CNCC2O)cnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is IMMORHAYSJLKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-10-12(16(23)19-7-11-6-18-9-15(11)22)8-20-21(10)14-5-3-2-4-13(14)17/h2-5,8,11,15,18,22H,6-7,9H2,1H3,(H,19,23).
What are the key properties of 1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 120946465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).