[5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate

C17H16ClFN4O2 — CID 87235134

IUPAC[5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate
SMILESCC(C)c1cnn2c(OC(N)=O)c(C(F)c3ccccc3)c(Cl)nc12
InChIInChI=1S/C17H16ClFN4O2/c1-9(2)11-8-21-23-15(11)22-14(18)12(16(23)25-17(20)24)13(19)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H2,20,24)
InChIKeyQMKHRCPRAWGQNW-UHFFFAOYSA-N
MW362.79 g/mol
LogP4.02
Rot. Bonds4

About [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate

[5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate (PubChem CID 87235134) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate.

Molecular Properties

Compound Name[5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate
PubChem CID87235134
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC Name[5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate
SMILESCC(C)c1cnn2c(OC(N)=O)c(C(F)c3ccccc3)c(Cl)nc12
InChIInChI=1S/C17H16ClFN4O2/c1-9(2)11-8-21-23-15(11)22-14(18)12(16(23)25-17(20)24)13(19)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H2,20,24)
InChIKeyQMKHRCPRAWGQNW-UHFFFAOYSA-N
XLogP4.02
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] 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

5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 145163887
(3-aminophenyl)-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid
CID 170358411
bis(carbamothioic S-acid);cumene
CID 87644989
(1-phenylmethoxycarbonylazetidin-3-yl) 4-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
CID 171798596
4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid
CID 156513507
(2-trimethylsilylphenyl) carbamate
CID 68854003
(3R,4R)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-chloropiperidin-4-ol
CID 118329747
(4-propan-2-ylphenyl) carbamate
CID 57008477
acetic acid;cumene
CID 172767405
1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea
CID 175861325
methyl (2S,3S)-3-fluoro-2-methyl-3-phenylpropanoate
CID 23234221
methyl (2S,3R)-3-fluoro-2-methyl-3-phenylpropanoate
CID 12617133

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate?
The IUPAC name of [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate (CID 87235134) is [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate.
What is the SMILES notation for [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate?
The canonical SMILES for [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate is CC(C)c1cnn2c(OC(N)=O)c(C(F)c3ccccc3)c(Cl)nc12.
What is the InChIKey of [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate?
The InChIKey is QMKHRCPRAWGQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c1-9(2)11-8-21-23-15(11)22-14(18)12(16(23)25-17(20)24)13(19)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H2,20,24).
What are the key properties of [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate?
[5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate has a molecular weight of 362.79 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[fluoro(phenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl] carbamate is sourced from PubChem (CID 87235134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).