3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol

C18H25N5O — CID 44591767

IUPAC3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol
SMILESOC1CCCC(c2[nH]ncc2-c2ccnc(NC3CCCC3)n2)C1
InChIInChI=1S/C18H25N5O/c24-14-7-3-4-12(10-14)17-15(11-20-23-17)16-8-9-19-18(22-16)21-13-5-1-2-6-13/h8-9,11-14,24H,1-7,10H2,(H,20,23)(H,19,21,22)
InChIKeyFVOMNFNIDIQPDL-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.24
Rot. Bonds4

About 3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol

3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol (PubChem CID 44591767) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol
PubChem CID44591767
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol
SMILESOC1CCCC(c2[nH]ncc2-c2ccnc(NC3CCCC3)n2)C1
InChIInChI=1S/C18H25N5O/c24-14-7-3-4-12(10-14)17-15(11-20-23-17)16-8-9-19-18(22-16)21-13-5-1-2-6-13/h8-9,11-14,24H,1-7,10H2,(H,20,23)(H,19,21,22)
InChIKeyFVOMNFNIDIQPDL-UHFFFAOYSA-N
XLogP3.24
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol (CID 44591767) is 3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol is OC1CCCC(c2[nH]ncc2-c2ccnc(NC3CCCC3)n2)C1.
What is the InChIKey of 3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol?
The InChIKey is FVOMNFNIDIQPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c24-14-7-3-4-12(10-14)17-15(11-20-23-17)16-8-9-19-18(22-16)21-13-5-1-2-6-13/h8-9,11-14,24H,1-7,10H2,(H,20,23)(H,19,21,22).
What are the key properties of 3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol?
3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol has a molecular weight of 327.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 44591767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).