4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine

C18H18ClN5 — CID 44591703

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
SMILESClc1ccc(-c2[nH]ncc2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C18H18ClN5/c19-13-7-5-12(6-8-13)17-15(11-21-24-17)16-9-10-20-18(23-16)22-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,24)(H,20,22,23)
InChIKeyPXJCEFGMIBFUGI-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.54
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine

4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine (PubChem CID 44591703) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
PubChem CID44591703
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
SMILESClc1ccc(-c2[nH]ncc2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C18H18ClN5/c19-13-7-5-12(6-8-13)17-15(11-21-24-17)16-9-10-20-18(23-16)22-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,24)(H,20,22,23)
InChIKeyPXJCEFGMIBFUGI-UHFFFAOYSA-N
XLogP4.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine (CID 44591703) is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine is Clc1ccc(-c2[nH]ncc2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
The InChIKey is PXJCEFGMIBFUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c19-13-7-5-12(6-8-13)17-15(11-21-24-17)16-9-10-20-18(23-16)22-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,24)(H,20,22,23).
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine has a molecular weight of 339.83 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 44591703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).