N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide

C16H27N3O2 — CID 99704493

IUPACN-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@](C)(CO)C2CCCCC2)cn1
InChIInChI=1S/C16H27N3O2/c1-3-9-19-11-13(10-17-19)15(21)18-16(2,12-20)14-7-5-4-6-8-14/h10-11,14,20H,3-9,12H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyLAYIUKWGEATADF-INIZCTEOSA-N
MW293.41 g/mol
LogP2.35
Rot. Bonds6

About N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide

N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide (PubChem CID 99704493) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide
PubChem CID99704493
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@](C)(CO)C2CCCCC2)cn1
InChIInChI=1S/C16H27N3O2/c1-3-9-19-11-13(10-17-19)15(21)18-16(2,12-20)14-7-5-4-6-8-14/h10-11,14,20H,3-9,12H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyLAYIUKWGEATADF-INIZCTEOSA-N
XLogP2.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide (CID 99704493) is N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)N[C@@](C)(CO)C2CCCCC2)cn1.
What is the InChIKey of N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide?
The InChIKey is LAYIUKWGEATADF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-9-19-11-13(10-17-19)15(21)18-16(2,12-20)14-7-5-4-6-8-14/h10-11,14,20H,3-9,12H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide?
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 99704493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).