3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H21Cl2N5O — CID 92590923

IUPAC3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)c1nn2cccnc2c1Cl)c1ccccc1Cl
InChIInChI=1S/C19H21Cl2N5O/c1-3-25(4-2)15(13-8-5-6-9-14(13)20)12-23-19(27)17-16(21)18-22-10-7-11-26(18)24-17/h5-11,15H,3-4,12H2,1-2H3,(H,23,27)/t15-/m0/s1
InChIKeyOYYWXVNXNCURLI-HNNXBMFYSA-N
MW406.32 g/mol
LogP3.85
Rot. Bonds7

About 3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 92590923) has the molecular formula C19H21Cl2N5O and a molecular weight of 406.32 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID92590923
Molecular FormulaC19H21Cl2N5O
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)c1nn2cccnc2c1Cl)c1ccccc1Cl
InChIInChI=1S/C19H21Cl2N5O/c1-3-25(4-2)15(13-8-5-6-9-14(13)20)12-23-19(27)17-16(21)18-22-10-7-11-26(18)24-17/h5-11,15H,3-4,12H2,1-2H3,(H,23,27)/t15-/m0/s1
InChIKeyOYYWXVNXNCURLI-HNNXBMFYSA-N
XLogP3.85
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazine-2-carboxamide
CID 30524608
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47051734
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4867160
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide
CID 18288172
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2H-triazole-4-carboxamide
CID 51595080
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019792
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 34949059
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylthiadiazole-5-carboxamide
CID 26834158

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 92590923) is 3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC)[C@@H](CNC(=O)c1nn2cccnc2c1Cl)c1ccccc1Cl.
What is the InChIKey of 3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OYYWXVNXNCURLI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O/c1-3-25(4-2)15(13-8-5-6-9-14(13)20)12-23-19(27)17-16(21)18-22-10-7-11-26(18)24-17/h5-11,15H,3-4,12H2,1-2H3,(H,23,27)/t15-/m0/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 406.32 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 92590923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).