4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole

C12H19ClN2 — CID 64508215

IUPAC4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
SMILESCCCn1cc(CCC(Cl)C2CC2)cn1
InChIInChI=1S/C12H19ClN2/c1-2-7-15-9-10(8-14-15)3-6-12(13)11-4-5-11/h8-9,11-12H,2-7H2,1H3
InChIKeyMCRPAJIZWJICGE-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.24
Rot. Bonds6

About 4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole

4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole (PubChem CID 64508215) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole.

Molecular Properties

Compound Name4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
PubChem CID64508215
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
SMILESCCCn1cc(CCC(Cl)C2CC2)cn1
InChIInChI=1S/C12H19ClN2/c1-2-7-15-9-10(8-14-15)3-6-12(13)11-4-5-11/h8-9,11-12H,2-7H2,1H3
InChIKeyMCRPAJIZWJICGE-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.24
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

4-(3-bromopentyl)-1-propylpyrazole
CID 64508753
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 114665292
(1-propylpyrazol-4-yl)methanethiol
CID 103573669
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
1,4-dipentylpyrazole
CID 70562897
1-propyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 103573721
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
4-(4-chloro-5-methylhexyl)-1-ethylpyrazole
CID 64508208
3-[chloro-(1-propylpyrazol-4-yl)methyl]thiolane 1,1-dioxide
CID 103572835
1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113237556
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 115879784

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole?
The IUPAC name of 4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole (CID 64508215) is 4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole.
What is the SMILES notation for 4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole?
The canonical SMILES for 4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole is CCCn1cc(CCC(Cl)C2CC2)cn1.
What is the InChIKey of 4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole?
The InChIKey is MCRPAJIZWJICGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-2-7-15-9-10(8-14-15)3-6-12(13)11-4-5-11/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole?
4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole has a molecular weight of 226.75 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole is sourced from PubChem (CID 64508215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).