methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate

C18H24N4O2 — CID 42686484

IUPACmethyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate
SMILESCCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)OC
InChIInChI=1S/C18H24N4O2/c1-3-15-17(19-18(23)24-2)16(21-20-15)13-7-9-14(10-8-13)22-11-5-4-6-12-22/h7-10H,3-6,11-12H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyJFFVJIPZOKWZSF-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.81
Rot. Bonds4

About methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate

methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate (PubChem CID 42686484) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate
PubChem CID42686484
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Namemethyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate
SMILESCCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)OC
InChIInChI=1S/C18H24N4O2/c1-3-15-17(19-18(23)24-2)16(21-20-15)13-7-9-14(10-8-13)22-11-5-4-6-12-22/h7-10H,3-6,11-12H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyJFFVJIPZOKWZSF-UHFFFAOYSA-N
XLogP3.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide
CID 42874128
N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686470
4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686466
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794
1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 42874354
1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687416
4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one;ethane
CID 90706844
methyl 5-[4-(azepan-1-yl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204105
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686883
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate?
The IUPAC name of methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate (CID 42686484) is methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate?
The canonical SMILES for methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate is CCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)OC.
What is the InChIKey of methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate?
The InChIKey is JFFVJIPZOKWZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-15-17(19-18(23)24-2)16(21-20-15)13-7-9-14(10-8-13)22-11-5-4-6-12-22/h7-10H,3-6,11-12H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate?
methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate has a molecular weight of 328.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate is sourced from PubChem (CID 42686484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).