cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate

C16H21F2N3O2 — CID 169169263

IUPACcyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)OC1CC1
InChIInChI=1S/C16H21F2N3O2/c1-21-14(19-15(22)23-11-5-6-11)12(9-3-2-4-9)13(20-21)10-7-16(17,18)8-10/h9-11H,2-8H2,1H3,(H,19,22)
InChIKeySPNNLMGWYRTNOX-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.91
Rot. Bonds4

About cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate

cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate (PubChem CID 169169263) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
PubChem CID169169263
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC Namecyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)OC1CC1
InChIInChI=1S/C16H21F2N3O2/c1-21-14(19-15(22)23-11-5-6-11)12(9-3-2-4-9)13(20-21)10-7-16(17,18)8-10/h9-11H,2-8H2,1H3,(H,19,22)
InChIKeySPNNLMGWYRTNOX-UHFFFAOYSA-N
XLogP3.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The IUPAC name of cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate (CID 169169263) is cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The canonical SMILES for cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate is Cn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)OC1CC1.
What is the InChIKey of cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The InChIKey is SPNNLMGWYRTNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-21-14(19-15(22)23-11-5-6-11)12(9-3-2-4-9)13(20-21)10-7-16(17,18)8-10/h9-11H,2-8H2,1H3,(H,19,22).
What are the key properties of cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate has a molecular weight of 325.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 169169263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).