4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole

C11H17ClN2O — CID 162378573

IUPAC4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole
SMILESCOCC1(n2ncc(Cl)c2C(C)C)CC1
InChIInChI=1S/C11H17ClN2O/c1-8(2)10-9(12)6-13-14(10)11(4-5-11)7-15-3/h6,8H,4-5,7H2,1-3H3
InChIKeyVFSIWUHQAMAWED-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.80
Rot. Bonds4

About 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole

4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole (PubChem CID 162378573) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole
PubChem CID162378573
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole
SMILESCOCC1(n2ncc(Cl)c2C(C)C)CC1
InChIInChI=1S/C11H17ClN2O/c1-8(2)10-9(12)6-13-14(10)11(4-5-11)7-15-3/h6,8H,4-5,7H2,1-3H3
InChIKeyVFSIWUHQAMAWED-UHFFFAOYSA-N
XLogP2.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole with MolForge

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Related Compounds

methyl 2-(4-chloro-5-propan-2-ylpyrazol-1-yl)acetate
CID 154882133
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol
CID 114645850
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661743
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 114661940
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105054611
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452008
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275862

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole?
The IUPAC name of 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole (CID 162378573) is 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole.
What is the SMILES notation for 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole?
The canonical SMILES for 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole is COCC1(n2ncc(Cl)c2C(C)C)CC1.
What is the InChIKey of 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole?
The InChIKey is VFSIWUHQAMAWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(2)10-9(12)6-13-14(10)11(4-5-11)7-15-3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole?
4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole has a molecular weight of 228.72 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[1-(methoxymethyl)cyclopropyl]-5-propan-2-ylpyrazole is sourced from PubChem (CID 162378573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).