2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide

C20H21ClN4O2 — CID 95132846

IUPAC2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC[C@H](CO)N(Cc1ccccn1)C(=O)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C20H21ClN4O2/c1-2-16(14-26)24(13-15-6-3-4-9-22-15)20(27)18-12-17(7-8-19(18)21)25-11-5-10-23-25/h3-12,16,26H,2,13-14H2,1H3/t16-/m1/s1
InChIKeyNWSIVFUZYJTUMK-MRXNPFEDSA-N
MW384.87 g/mol
LogP3.33
Rot. Bonds7

About 2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide

2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 95132846) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID95132846
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC[C@H](CO)N(Cc1ccccn1)C(=O)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C20H21ClN4O2/c1-2-16(14-26)24(13-15-6-3-4-9-22-15)20(27)18-12-17(7-8-19(18)21)25-11-5-10-23-25/h3-12,16,26H,2,13-14H2,1H3/t16-/m1/s1
InChIKeyNWSIVFUZYJTUMK-MRXNPFEDSA-N
XLogP3.33
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 50948881
N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176507008
2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide
CID 119059713
N'-[(2R)-1-hydroxybutan-2-yl]-N-(4-methylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 95120471
N-propan-2-yl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 51088398
2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide
CID 77091034
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide
CID 77078809
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718
3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 103988691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide (CID 95132846) is 2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide is CC[C@H](CO)N(Cc1ccccn1)C(=O)c1cc(-n2cccn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is NWSIVFUZYJTUMK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-2-16(14-26)24(13-15-6-3-4-9-22-15)20(27)18-12-17(7-8-19(18)21)25-11-5-10-23-25/h3-12,16,26H,2,13-14H2,1H3/t16-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide?
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 384.87 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 95132846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).