4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole

C10H17ClN2 — CID 66437944

IUPAC4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole
SMILESCCCn1ncc(CCl)c1C(C)C
InChIInChI=1S/C10H17ClN2/c1-4-5-13-10(8(2)3)9(6-11)7-12-13/h7-8H,4-6H2,1-3H3
InChIKeyQORGAERFYPLKES-UHFFFAOYSA-N
MW200.71 g/mol
LogP3.16
Rot. Bonds4

About 4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole

4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole (PubChem CID 66437944) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole
PubChem CID66437944
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole
SMILESCCCn1ncc(CCl)c1C(C)C
InChIInChI=1S/C10H17ClN2/c1-4-5-13-10(8(2)3)9(6-11)7-12-13/h7-8H,4-6H2,1-3H3
InChIKeyQORGAERFYPLKES-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 112712313
N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 66440340
1-[(2-bromophenyl)methyl]-4-(chloromethyl)-5-propan-2-ylpyrazole
CID 66438185
4-(chloromethyl)-1-(2-chlorophenyl)-5-propan-2-ylpyrazole
CID 66436399
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
2-[4-(aminomethyl)-5-propan-2-ylpyrazol-1-yl]-N,N-dimethylethanamine
CID 66439965
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 66440933
N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66439923
4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole
CID 114665550
N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441610
4-(chloromethyl)-5-(difluoromethyl)-1-pentan-3-ylpyrazole
CID 66439255
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440323

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole?
The IUPAC name of 4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole (CID 66437944) is 4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole.
What is the SMILES notation for 4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole?
The canonical SMILES for 4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole is CCCn1ncc(CCl)c1C(C)C.
What is the InChIKey of 4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole?
The InChIKey is QORGAERFYPLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-4-5-13-10(8(2)3)9(6-11)7-12-13/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole?
4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole has a molecular weight of 200.71 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole is sourced from PubChem (CID 66437944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).