(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol

C12H17ClN4O — CID 114636989

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cnn(CC)c1
InChIInChI=1S/C12H17ClN4O/c1-3-5-17-11(10(13)7-15-17)12(18)9-6-14-16(4-2)8-9/h6-8,12,18H,3-5H2,1-2H3
InChIKeyIWDQFYPGQNWVMV-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.24
Rot. Bonds5

About (4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 114636989) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID114636989
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cnn(CC)c1
InChIInChI=1S/C12H17ClN4O/c1-3-5-17-11(10(13)7-15-17)12(18)9-6-14-16(4-2)8-9/h6-8,12,18H,3-5H2,1-2H3
InChIKeyIWDQFYPGQNWVMV-UHFFFAOYSA-N
XLogP2.24
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105128459
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105128541
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114638648
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
CID 114634224
(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635773
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol (CID 114636989) is (4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol is CCCn1ncc(Cl)c1C(O)c1cnn(CC)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is IWDQFYPGQNWVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-3-5-17-11(10(13)7-15-17)12(18)9-6-14-16(4-2)8-9/h6-8,12,18H,3-5H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 268.75 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 114636989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).