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N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide

C23H29N5O2 — CID 124742043

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O
InChIInChI=1S/C23H29N5O2/c24-14-17-15-25-28(18-8-2-1-3-9-18)23(17)26-22(30)16-27-13-7-6-11-20(27)19-10-4-5-12-21(19)29/h1-3,8-9,15,19-21,29H,4-7,10-13,16H2,(H,26,30)/t19-,20-,21-/m1/s1
InChIKeyXDDDSUSLMDGNRB-NJDAHSKKSA-N
MW407.52 g/mol
LogP3.09
Rot. Bonds5

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide (PubChem CID 124742043) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide
PubChem CID124742043
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O
InChIInChI=1S/C23H29N5O2/c24-14-17-15-25-28(18-8-2-1-3-9-18)23(17)26-22(30)16-27-13-7-6-11-20(27)19-10-4-5-12-21(19)29/h1-3,8-9,15,19-21,29H,4-7,10-13,16H2,(H,26,30)/t19-,20-,21-/m1/s1
InChIKeyXDDDSUSLMDGNRB-NJDAHSKKSA-N
XLogP3.09
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide (CID 124742043) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide?
The InChIKey is XDDDSUSLMDGNRB-NJDAHSKKSA-N. The full InChI is InChI=1S/C23H29N5O2/c24-14-17-15-25-28(18-8-2-1-3-9-18)23(17)26-22(30)16-27-13-7-6-11-20(27)19-10-4-5-12-21(19)29/h1-3,8-9,15,19-21,29H,4-7,10-13,16H2,(H,26,30)/t19-,20-,21-/m1/s1.
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 124742043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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