(1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate

C11H16FN3O2 — CID 175215398

IUPAC(1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cnn(C2CC2)c1F
InChIInChI=1S/C11H16FN3O2/c1-11(2,3)14-10(16)17-8-6-13-15(9(8)12)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,14,16)
InChIKeyNHCHRBUJBSZMTO-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.24
Rot. Bonds2

About (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate

(1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate (PubChem CID 175215398) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate
PubChem CID175215398
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name(1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cnn(C2CC2)c1F
InChIInChI=1S/C11H16FN3O2/c1-11(2,3)14-10(16)17-8-6-13-15(9(8)12)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,14,16)
InChIKeyNHCHRBUJBSZMTO-UHFFFAOYSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(s-Butyl)-1h-pyrazol-4-yl methylcarbamate
CID 13018418
(5-fluoro-1-methylpyrazol-4-yl) N-tert-butylcarbamate
CID 175220441
1-Isopentyl-1h-pyrazole-4-yl methylcarbamate
CID 129848955
1-Isobutyl-1h-pyrazol-4-yl methylcarbamate
CID 129848989
N-methyl-carbamic acid O-(1-iso-propylpyrazol-4-yl) ester
CID 13018414
(1-propylpyrazol-4-yl) N-methylcarbamate
CID 13018417
1-isopropyl-pyrazol-4-yl N-n-propylcarbamate
CID 13101187
1-tert.-butyl-pyrazol-4-yl N-ethylcarbamate
CID 13101188
(1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate
CID 13101189
(1-butan-2-ylpyrazol-4-yl) N-cyclopropylcarbamate
CID 20400058
(1-butan-2-ylpyrazol-4-yl) N-propylcarbamate
CID 20400060
(1-butan-2-ylpyrazol-4-yl) N-ethylcarbamate
CID 20400062

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate?
The IUPAC name of (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate (CID 175215398) is (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate?
The canonical SMILES for (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1cnn(C2CC2)c1F.
What is the InChIKey of (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate?
The InChIKey is NHCHRBUJBSZMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-11(2,3)14-10(16)17-8-6-13-15(9(8)12)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,14,16).
What are the key properties of (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate?
(1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate has a molecular weight of 241.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-5-fluoropyrazol-4-yl) N-tert-butylcarbamate is sourced from PubChem (CID 175215398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).