(3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide

C17H22ClN5O — CID 164636599

IUPAC(3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)N1CCN[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C17H22ClN5O/c1-11-16(12(2)22(3)21-11)20-17(24)23-9-8-19-15(10-23)13-6-4-5-7-14(13)18/h4-7,15,19H,8-10H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyAEIDXOPNCFMQMH-HNNXBMFYSA-N
MW347.85 g/mol
LogP2.87
Rot. Bonds2

About (3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide

(3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 164636599) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID164636599
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name(3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)N1CCN[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C17H22ClN5O/c1-11-16(12(2)22(3)21-11)20-17(24)23-9-8-19-15(10-23)13-6-4-5-7-14(13)18/h4-7,15,19H,8-10H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyAEIDXOPNCFMQMH-HNNXBMFYSA-N
XLogP2.87
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of (3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide (CID 164636599) is (3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide is Cc1nn(C)c(C)c1NC(=O)N1CCN[C@H](c2ccccc2Cl)C1.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is AEIDXOPNCFMQMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-11-16(12(2)22(3)21-11)20-17(24)23-9-8-19-15(10-23)13-6-4-5-7-14(13)18/h4-7,15,19H,8-10H2,1-3H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide?
(3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 164636599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).