(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine

C13H12N4 — CID 103281269

IUPAC(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESNCc1ccnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C13H12N4/c14-9-11-6-7-15-13-8-12(16-17(11)13)10-4-2-1-3-5-10/h1-8H,9,14H2
InChIKeyVRQNNZHIVCEDMY-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.86
Rot. Bonds2

About (2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine

(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine (PubChem CID 103281269) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is (2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine.

Molecular Properties

Compound Name(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
PubChem CID103281269
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESNCc1ccnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C13H12N4/c14-9-11-6-7-15-13-8-12(16-17(11)13)10-4-2-1-3-5-10/h1-8H,9,14H2
InChIKeyVRQNNZHIVCEDMY-UHFFFAOYSA-N
XLogP1.86
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103316839
7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 3955995
(2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103316187
7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135590645
4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 141184057
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103317716
2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide
CID 141184049
dimethyl-phenyl-(2-phenyl-4-pyridinyl)germane
CID 140726208
[4-(3-phenylphenyl)-2-pyridinyl]methanamine
CID 177019282
[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132976
4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one
CID 82444722

Frequently Asked Questions

What is the IUPAC name of (2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The IUPAC name of (2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine (CID 103281269) is (2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine.
What is the SMILES notation for (2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The canonical SMILES for (2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine is NCc1ccnc2cc(-c3ccccc3)nn12.
What is the InChIKey of (2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The InChIKey is VRQNNZHIVCEDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-9-11-6-7-15-13-8-12(16-17(11)13)10-4-2-1-3-5-10/h1-8H,9,14H2.
What are the key properties of (2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine has a molecular weight of 224.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine is sourced from PubChem (CID 103281269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).