N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C19H22N4O — CID 4898073

IUPACN-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1cnn2c(NC3CCCC3)cc(C)nc12
InChIInChI=1S/C19H22N4O/c1-13-11-18(22-14-7-3-4-8-14)23-19(21-13)16(12-20-23)15-9-5-6-10-17(15)24-2/h5-6,9-12,14,22H,3-4,7-8H2,1-2H3
InChIKeyYHEWULVGLYZFHD-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.07
Rot. Bonds4

About N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4898073) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4898073
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1cnn2c(NC3CCCC3)cc(C)nc12
InChIInChI=1S/C19H22N4O/c1-13-11-18(22-14-7-3-4-8-14)23-19(21-13)16(12-20-23)15-9-5-6-10-17(15)24-2/h5-6,9-12,14,22H,3-4,7-8H2,1-2H3
InChIKeyYHEWULVGLYZFHD-UHFFFAOYSA-N
XLogP4.07
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4898073) is N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1-c1cnn2c(NC3CCCC3)cc(C)nc12.
What is the InChIKey of N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YHEWULVGLYZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-11-18(22-14-7-3-4-8-14)23-19(21-13)16(12-20-23)15-9-5-6-10-17(15)24-2/h5-6,9-12,14,22H,3-4,7-8H2,1-2H3.
What are the key properties of N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 322.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4898073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).