2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine

C17H18ClN3 — CID 104846648

IUPAC2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccccc2)nc2cc(C(C)(C)C)nn2c1Cl
InChIInChI=1S/C17H18ClN3/c1-11-15(12-8-6-5-7-9-12)19-14-10-13(17(2,3)4)20-21(14)16(11)18/h5-10H,1-4H3
InChIKeySZVRVWVUIJZHKG-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.66
Rot. Bonds1

About 2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine

2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 104846648) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID104846648
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccccc2)nc2cc(C(C)(C)C)nn2c1Cl
InChIInChI=1S/C17H18ClN3/c1-11-15(12-8-6-5-7-9-12)19-14-10-13(17(2,3)4)20-21(14)16(11)18/h5-10H,1-4H3
InChIKeySZVRVWVUIJZHKG-UHFFFAOYSA-N
XLogP4.66
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine
CID 104621679
7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine
CID 82274571
2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271525
7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114514610
2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818883
2-tert-butyl-7-phenoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2822171
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877392
1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone
CID 46079833
5-tert-butyl-8-chloro-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
CID 106471818
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
N-benzyl-2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716800

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine (CID 104846648) is 2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine is Cc1c(-c2ccccc2)nc2cc(C(C)(C)C)nn2c1Cl.
What is the InChIKey of 2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SZVRVWVUIJZHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-11-15(12-8-6-5-7-9-12)19-14-10-13(17(2,3)4)20-21(14)16(11)18/h5-10H,1-4H3.
What are the key properties of 2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine?
2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 299.81 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104846648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).