N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine

C19H24N4O — CID 167764145

IUPACN-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(CCc1ccc(OC(C)C)cc1)Nc1ccn2nccc2n1
InChIInChI=1S/C19H24N4O/c1-14(2)24-17-8-6-16(7-9-17)5-4-15(3)21-18-11-13-23-19(22-18)10-12-20-23/h6-15H,4-5H2,1-3H3,(H,21,22)
InChIKeyDUVVAGHWRSAPJL-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.95
Rot. Bonds7

About N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 167764145) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID167764145
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(CCc1ccc(OC(C)C)cc1)Nc1ccn2nccc2n1
InChIInChI=1S/C19H24N4O/c1-14(2)24-17-8-6-16(7-9-17)5-4-15(3)21-18-11-13-23-19(22-18)10-12-20-23/h6-15H,4-5H2,1-3H3,(H,21,22)
InChIKeyDUVVAGHWRSAPJL-UHFFFAOYSA-N
XLogP3.95
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 167764145) is N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine is CC(CCc1ccc(OC(C)C)cc1)Nc1ccn2nccc2n1.
What is the InChIKey of N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is DUVVAGHWRSAPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)24-17-8-6-16(7-9-17)5-4-15(3)21-18-11-13-23-19(22-18)10-12-20-23/h6-15H,4-5H2,1-3H3,(H,21,22).
What are the key properties of N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 324.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 167764145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).