5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine

C15H13ClN4O — CID 141302527

IUPAC5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cccc(Oc2cc(NC3CC3)n3nccc3n2)c1
InChIInChI=1S/C15H13ClN4O/c16-10-2-1-3-12(8-10)21-15-9-14(18-11-4-5-11)20-13(19-15)6-7-17-20/h1-3,6-9,11,18H,4-5H2
InChIKeyWMYRHVDIZCRMSH-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.75
Rot. Bonds4

About 5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine

5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 141302527) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID141302527
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cccc(Oc2cc(NC3CC3)n3nccc3n2)c1
InChIInChI=1S/C15H13ClN4O/c16-10-2-1-3-12(8-10)21-15-9-14(18-11-4-5-11)20-13(19-15)6-7-17-20/h1-3,6-9,11,18H,4-5H2
InChIKeyWMYRHVDIZCRMSH-UHFFFAOYSA-N
XLogP3.75
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11460143
N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]formamide
CID 146558614
4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 155924775
2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207084
(1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418395
trans-(1S,3S)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146502890
trans-(1S,3S)-3-N-[5-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558706
[4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine
CID 80916101
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558697
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56895664
trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409749

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine (CID 141302527) is 5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine is Clc1cccc(Oc2cc(NC3CC3)n3nccc3n2)c1.
What is the InChIKey of 5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WMYRHVDIZCRMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-10-2-1-3-12(8-10)21-15-9-14(18-11-4-5-11)20-13(19-15)6-7-17-20/h1-3,6-9,11,18H,4-5H2.
What are the key properties of 5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 300.75 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 141302527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).