[1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate

C20H17FN4O3 — CID 175104777

IUPAC[1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate
SMILESNC(=O)Oc1c(F)cnn1-c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1
InChIInChI=1S/C20H17FN4O3/c21-16-11-24-25(17(16)28-19(23)27)15-7-3-13(4-8-15)12-1-5-14(6-2-12)20(9-10-20)18(22)26/h1-8,11H,9-10H2,(H2,22,26)(H2,23,27)
InChIKeyWXTDKWCDGJWCMT-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.65
Rot. Bonds5

About [1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate

[1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate (PubChem CID 175104777) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is [1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate.

Molecular Properties

Compound Name[1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate
PubChem CID175104777
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name[1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate
SMILESNC(=O)Oc1c(F)cnn1-c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1
InChIInChI=1S/C20H17FN4O3/c21-16-11-24-25(17(16)28-19(23)27)15-7-3-13(4-8-15)12-1-5-14(6-2-12)20(9-10-20)18(22)26/h1-8,11H,9-10H2,(H2,22,26)(H2,23,27)
InChIKeyWXTDKWCDGJWCMT-UHFFFAOYSA-N
XLogP2.65
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate?
The IUPAC name of [1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate (CID 175104777) is [1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate.
What is the SMILES notation for [1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate?
The canonical SMILES for [1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate is NC(=O)Oc1c(F)cnn1-c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1.
What is the InChIKey of [1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate?
The InChIKey is WXTDKWCDGJWCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-16-11-24-25(17(16)28-19(23)27)15-7-3-13(4-8-15)12-1-5-14(6-2-12)20(9-10-20)18(22)26/h1-8,11H,9-10H2,(H2,22,26)(H2,23,27).
What are the key properties of [1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate?
[1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate has a molecular weight of 380.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[4-(1-carbamoylcyclopropyl)phenyl]phenyl]-4-fluoropyrazol-5-yl] carbamate is sourced from PubChem (CID 175104777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).