N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C18H20N4 — CID 3813473

IUPACN-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C18H20N4/c1-13-11-17(21-15-9-5-6-10-15)22-18(20-13)16(12-19-22)14-7-3-2-4-8-14/h2-4,7-8,11-12,15,21H,5-6,9-10H2,1H3
InChIKeyFCUKOCKCWNINSV-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.06
Rot. Bonds3

About N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3813473) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3813473
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C18H20N4/c1-13-11-17(21-15-9-5-6-10-15)22-18(20-13)16(12-19-22)14-7-3-2-4-8-14/h2-4,7-8,11-12,15,21H,5-6,9-10H2,1H3
InChIKeyFCUKOCKCWNINSV-UHFFFAOYSA-N
XLogP4.06
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3813473) is N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCCC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FCUKOCKCWNINSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-11-17(21-15-9-5-6-10-15)22-18(20-13)16(12-19-22)14-7-3-2-4-8-14/h2-4,7-8,11-12,15,21H,5-6,9-10H2,1H3.
What are the key properties of N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 292.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3813473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).