[4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C19H21N5O — CID 19441888

IUPAC[4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCc1ccccc1CN1CCN(C(=O)c2cc3ncccn3n2)CC1
InChIInChI=1S/C19H21N5O/c1-15-5-2-3-6-16(15)14-22-9-11-23(12-10-22)19(25)17-13-18-20-7-4-8-24(18)21-17/h2-8,13H,9-12,14H2,1H3
InChIKeyPCEDWFYBWKYRAA-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.00
Rot. Bonds3

About [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 19441888) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID19441888
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCc1ccccc1CN1CCN(C(=O)c2cc3ncccn3n2)CC1
InChIInChI=1S/C19H21N5O/c1-15-5-2-3-6-16(15)14-22-9-11-23(12-10-22)19(25)17-13-18-20-7-4-8-24(18)21-17/h2-8,13H,9-12,14H2,1H3
InChIKeyPCEDWFYBWKYRAA-UHFFFAOYSA-N
XLogP2.00
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 19441887
(4-chloro-2-pyridinyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 43019993
(2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 118679660
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
(4-methoxy-2-pyridinyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 75371941
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19581278
methyl 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzoate
CID 8642324
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 39712553
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone
CID 37200701
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 90483007

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 19441888) is [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is Cc1ccccc1CN1CCN(C(=O)c2cc3ncccn3n2)CC1.
What is the InChIKey of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is PCEDWFYBWKYRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-5-2-3-6-16(15)14-22-9-11-23(12-10-22)19(25)17-13-18-20-7-4-8-24(18)21-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 19441888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).