N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide

C18H23N3O2 — CID 11301455

IUPACN-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCC(COc2ccccc2)CC1)c1cn[nH]c1
InChIInChI=1S/C18H23N3O2/c22-18(16-11-20-21-12-16)19-10-14-6-8-15(9-7-14)13-23-17-4-2-1-3-5-17/h1-5,11-12,14-15H,6-10,13H2,(H,19,22)(H,20,21)
InChIKeyRUYPBOXJPJJGMI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.02
Rot. Bonds6

About N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide

N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 11301455) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID11301455
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCC(COc2ccccc2)CC1)c1cn[nH]c1
InChIInChI=1S/C18H23N3O2/c22-18(16-11-20-21-12-16)19-10-14-6-8-15(9-7-14)13-23-17-4-2-1-3-5-17/h1-5,11-12,14-15H,6-10,13H2,(H,19,22)(H,20,21)
InChIKeyRUYPBOXJPJJGMI-UHFFFAOYSA-N
XLogP3.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide (CID 11301455) is N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCC1CCC(COc2ccccc2)CC1)c1cn[nH]c1.
What is the InChIKey of N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is RUYPBOXJPJJGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-18(16-11-20-21-12-16)19-10-14-6-8-15(9-7-14)13-23-17-4-2-1-3-5-17/h1-5,11-12,14-15H,6-10,13H2,(H,19,22)(H,20,21).
What are the key properties of N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(phenoxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 11301455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).