3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate

C14H22FN3O3 — CID 164638093

IUPAC3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate
SMILESCn1cc([C@@H](NC(=O)OCCCF)C2(CO)CCC2)cn1
InChIInChI=1S/C14H22FN3O3/c1-18-9-11(8-16-18)12(14(10-19)4-2-5-14)17-13(20)21-7-3-6-15/h8-9,12,19H,2-7,10H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyGIWPHSJQFRQSAX-GFCCVEGCSA-N
MW299.35 g/mol
LogP1.71
Rot. Bonds7

About 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate

3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate (PubChem CID 164638093) has the molecular formula C14H22FN3O3 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Name3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate
PubChem CID164638093
Molecular FormulaC14H22FN3O3
Molecular Weight299.35 g/mol
Exact Mass299.16
IUPAC Name3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate
SMILESCn1cc([C@@H](NC(=O)OCCCF)C2(CO)CCC2)cn1
InChIInChI=1S/C14H22FN3O3/c1-18-9-11(8-16-18)12(14(10-19)4-2-5-14)17-13(20)21-7-3-6-15/h8-9,12,19H,2-7,10H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyGIWPHSJQFRQSAX-GFCCVEGCSA-N
XLogP1.71
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]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

{1-[amino(1-methyl-1H-pyrazol-4-yl)methyl]cyclobutyl}methanol
CID 119053274
1,1,1-Trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 122154384
1,1,1-Trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol
CID 122154380
(2R)-1,1,1-trifluoro-3-[[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 125535668
(2R)-1,1,1-trifluoro-3-[[(S)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 125535669
(2S)-1,1,1-trifluoro-3-[[(S)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 125535670
(2S)-1,1,1-trifluoro-3-[[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 125535671
(2S)-1,1,1-trifluoro-3-[[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol
CID 125536955
(2R)-1,1,1-trifluoro-3-[[(S)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol
CID 125536956
(2S)-1,1,1-trifluoro-3-[[(S)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol
CID 125536957
(2R)-1,1,1-trifluoro-3-[[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol
CID 125536958
3-fluoropropyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate
CID 132388926

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate?
The IUPAC name of 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate (CID 164638093) is 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate.
What is the SMILES notation for 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate?
The canonical SMILES for 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate is Cn1cc([C@@H](NC(=O)OCCCF)C2(CO)CCC2)cn1.
What is the InChIKey of 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate?
The InChIKey is GIWPHSJQFRQSAX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22FN3O3/c1-18-9-11(8-16-18)12(14(10-19)4-2-5-14)17-13(20)21-7-3-6-15/h8-9,12,19H,2-7,10H2,1H3,(H,17,20)/t12-/m1/s1.
What are the key properties of 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate?
3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate has a molecular weight of 299.35 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate is sourced from PubChem (CID 164638093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).