(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol

C12H14BrClN4O — CID 164718550

IUPAC(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cn(CC3CC3)nc2Cl)c(Br)n1
InChIInChI=1S/C12H14BrClN4O/c1-17-5-8(11(13)15-17)10(19)9-6-18(16-12(9)14)4-7-2-3-7/h5-7,10,19H,2-4H2,1H3
InChIKeyDNIIZLROXQTECK-UHFFFAOYSA-N
MW345.63 g/mol
LogP2.52
Rot. Bonds4

About (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol

(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol (PubChem CID 164718550) has the molecular formula C12H14BrClN4O and a molecular weight of 345.63 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol
PubChem CID164718550
Molecular FormulaC12H14BrClN4O
Molecular Weight345.63 g/mol
Exact Mass344.00
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cn(CC3CC3)nc2Cl)c(Br)n1
InChIInChI=1S/C12H14BrClN4O/c1-17-5-8(11(13)15-17)10(19)9-6-18(16-12(9)14)4-7-2-3-7/h5-7,10,19H,2-4H2,1H3
InChIKeyDNIIZLROXQTECK-UHFFFAOYSA-N
XLogP2.52
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.63
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol (CID 164718550) is (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol is Cn1cc(C(O)c2cn(CC3CC3)nc2Cl)c(Br)n1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The InChIKey is DNIIZLROXQTECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4O/c1-17-5-8(11(13)15-17)10(19)9-6-18(16-12(9)14)4-7-2-3-7/h5-7,10,19H,2-4H2,1H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol has a molecular weight of 345.63 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 164718550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).