N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide

C20H21FN4O2 — CID 72944198

IUPACN-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CCC(Oc2ccnc3c(F)cccc23)CC1)c1ccn[nH]1
InChIInChI=1S/C20H21FN4O2/c21-16-3-1-2-15-18(9-10-22-19(15)16)27-14-6-4-13(5-7-14)12-23-20(26)17-8-11-24-25-17/h1-3,8-11,13-14H,4-7,12H2,(H,23,26)(H,24,25)
InChIKeyROEXTDRETXPFBA-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.46
Rot. Bonds5

About N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide

N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 72944198) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID72944198
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CCC(Oc2ccnc3c(F)cccc23)CC1)c1ccn[nH]1
InChIInChI=1S/C20H21FN4O2/c21-16-3-1-2-15-18(9-10-22-19(15)16)27-14-6-4-13(5-7-14)12-23-20(26)17-8-11-24-25-17/h1-3,8-11,13-14H,4-7,12H2,(H,23,26)(H,24,25)
InChIKeyROEXTDRETXPFBA-UHFFFAOYSA-N
XLogP3.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide (CID 72944198) is N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide is O=C(NCC1CCC(Oc2ccnc3c(F)cccc23)CC1)c1ccn[nH]1.
What is the InChIKey of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ROEXTDRETXPFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-16-3-1-2-15-18(9-10-22-19(15)16)27-14-6-4-13(5-7-14)12-23-20(26)17-8-11-24-25-17/h1-3,8-11,13-14H,4-7,12H2,(H,23,26)(H,24,25).
What are the key properties of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 72944198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).