3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine

C23H26N6O — CID 71058463

IUPAC3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)cc(C4CCCC(OCc5ccccc5)C4)nc23)cn1
InChIInChI=1S/C23H26N6O/c1-28-14-18(12-25-28)20-13-26-29-22(24)11-21(27-23(20)29)17-8-5-9-19(10-17)30-15-16-6-3-2-4-7-16/h2-4,6-7,11-14,17,19H,5,8-10,15,24H2,1H3
InChIKeyXSDKMPYEKMSJMQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.95
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71058463) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71058463
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)cc(C4CCCC(OCc5ccccc5)C4)nc23)cn1
InChIInChI=1S/C23H26N6O/c1-28-14-18(12-25-28)20-13-26-29-22(24)11-21(27-23(20)29)17-8-5-9-19(10-17)30-15-16-6-3-2-4-7-16/h2-4,6-7,11-14,17,19H,5,8-10,15,24H2,1H3
InChIKeyXSDKMPYEKMSJMQ-UHFFFAOYSA-N
XLogP3.95
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71058463) is 3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)cc(C4CCCC(OCc5ccccc5)C4)nc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XSDKMPYEKMSJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-28-14-18(12-25-28)20-13-26-29-22(24)11-21(27-23(20)29)17-8-5-9-19(10-17)30-15-16-6-3-2-4-7-16/h2-4,6-7,11-14,17,19H,5,8-10,15,24H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 402.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71058463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).