7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine

C16H18ClN3 — CID 170418188

IUPAC7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C(C2CC2)C2CC2)nc2c(C3CC3)cnn12
InChIInChI=1S/C16H18ClN3/c17-14-7-13(15(10-3-4-10)11-5-6-11)19-16-12(9-1-2-9)8-18-20(14)16/h7-11,15H,1-6H2
InChIKeyZNLKJNCRZWQYOY-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.16
Rot. Bonds4

About 7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine

7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 170418188) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID170418188
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C(C2CC2)C2CC2)nc2c(C3CC3)cnn12
InChIInChI=1S/C16H18ClN3/c17-14-7-13(15(10-3-4-10)11-5-6-11)19-16-12(9-1-2-9)8-18-20(14)16/h7-11,15H,1-6H2
InChIKeyZNLKJNCRZWQYOY-UHFFFAOYSA-N
XLogP4.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine
CID 155104261
7-chloro-3-cyclopropyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 22308999
5-(1-cyclopentylethyl)-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 170417167
3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine
CID 89365467
7-chloro-5-cyclopropyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 170775874
trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418444
(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate
CID 155104394
7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171409738
4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide
CID 142946934
5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 166529641
N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide
CID 159480710
3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 170418247

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine (CID 170418188) is 7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine is Clc1cc(C(C2CC2)C2CC2)nc2c(C3CC3)cnn12.
What is the InChIKey of 7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZNLKJNCRZWQYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-14-7-13(15(10-3-4-10)11-5-6-11)19-16-12(9-1-2-9)8-18-20(14)16/h7-11,15H,1-6H2.
What are the key properties of 7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 287.79 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-cyclopropyl-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170418188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).