2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine

C12H12Cl2N4 — CID 126558495

IUPAC2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine
SMILESCn1ncc(-c2nc(Cl)ncc2Cl)c1CC1CC1
InChIInChI=1S/C12H12Cl2N4/c1-18-10(4-7-2-3-7)8(5-16-18)11-9(13)6-15-12(14)17-11/h5-7H,2-4H2,1H3
InChIKeySQPYQLADHMOVPT-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.14
Rot. Bonds3

About 2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine

2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine (PubChem CID 126558495) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine
PubChem CID126558495
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine
SMILESCn1ncc(-c2nc(Cl)ncc2Cl)c1CC1CC1
InChIInChI=1S/C12H12Cl2N4/c1-18-10(4-7-2-3-7)8(5-16-18)11-9(13)6-15-12(14)17-11/h5-7H,2-4H2,1H3
InChIKeySQPYQLADHMOVPT-UHFFFAOYSA-N
XLogP3.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine?
The IUPAC name of 2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine (CID 126558495) is 2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine?
The canonical SMILES for 2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine is Cn1ncc(-c2nc(Cl)ncc2Cl)c1CC1CC1.
What is the InChIKey of 2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine?
The InChIKey is SQPYQLADHMOVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-18-10(4-7-2-3-7)8(5-16-18)11-9(13)6-15-12(14)17-11/h5-7H,2-4H2,1H3.
What are the key properties of 2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine?
2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine has a molecular weight of 283.16 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine is sourced from PubChem (CID 126558495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).