methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate

C19H25FN4O2 — CID 118313424

IUPACmethyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc(C(C)NC2CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H25FN4O2/c1-13(22-16-8-9-16)17-12-18(14-4-6-15(20)7-5-14)24(23-17)11-3-10-21-19(25)26-2/h4-7,12-13,16,22H,3,8-11H2,1-2H3,(H,21,25)
InChIKeyQHRGWCGLALMJON-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.25
Rot. Bonds8

About methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate

methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate (PubChem CID 118313424) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate
PubChem CID118313424
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Namemethyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc(C(C)NC2CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H25FN4O2/c1-13(22-16-8-9-16)17-12-18(14-4-6-15(20)7-5-14)24(23-17)11-3-10-21-19(25)26-2/h4-7,12-13,16,22H,3,8-11H2,1-2H3,(H,21,25)
InChIKeyQHRGWCGLALMJON-UHFFFAOYSA-N
XLogP3.25
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate 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

methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(3-fluorophenyl)pyrazol-1-yl]propyl]carbamate
CID 90065264
methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(2-fluorophenyl)pyrazol-1-yl]propyl]carbamate
CID 118313436
methyl N-[3-[4-[1-(cyclopropylamino)ethyl]-2-(3-fluorophenyl)imidazol-1-yl]propyl]carbamate
CID 118313433
3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-(6-oxo-2,3-dihydro-1H-pyridin-3-yl)pyrazol-1-yl]propylcarbamoyloxidanium
CID 163557903
1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide
CID 177375928
methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058142
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate
CID 153458907
N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-methylpropanamide
CID 121078540
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 92581052
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)acetamide
CID 16878767
N-butyl-1-(cyclohexylmethyl)-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 10022081

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate (CID 118313424) is methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate is COC(=O)NCCCn1nc(C(C)NC2CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate?
The InChIKey is QHRGWCGLALMJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-13(22-16-8-9-16)17-12-18(14-4-6-15(20)7-5-14)24(23-17)11-3-10-21-19(25)26-2/h4-7,12-13,16,22H,3,8-11H2,1-2H3,(H,21,25).
What are the key properties of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate?
methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate has a molecular weight of 360.43 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).