2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane

C15H24ClN3 — CID 114657376

IUPAC2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane
SMILESCCCn1ncc(Cl)c1C1(C2CC2)CCCCCN1
InChIInChI=1S/C15H24ClN3/c1-2-10-19-14(13(16)11-18-19)15(12-6-7-12)8-4-3-5-9-17-15/h11-12,17H,2-10H2,1H3
InChIKeyOPYUGUABOIMGKZ-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.72
Rot. Bonds4

About 2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane

2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane (PubChem CID 114657376) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane.

Molecular Properties

Compound Name2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane
PubChem CID114657376
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane
SMILESCCCn1ncc(Cl)c1C1(C2CC2)CCCCCN1
InChIInChI=1S/C15H24ClN3/c1-2-10-19-14(13(16)11-18-19)15(12-6-7-12)8-4-3-5-9-17-15/h11-12,17H,2-10H2,1H3
InChIKeyOPYUGUABOIMGKZ-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylazepane
CID 114657333
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane
CID 114657340
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114636173
2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane
CID 114657357
2-cyclopropyl-2-(3,4-dichlorophenyl)azepane
CID 79116469
5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 114633273
5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114656492
2-cyclopropyl-2-(4-ethylphenyl)azepane
CID 79119281
3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol
CID 114637906
4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
CID 114636201
4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol
CID 114240715

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane?
The IUPAC name of 2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane (CID 114657376) is 2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane.
What is the SMILES notation for 2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane?
The canonical SMILES for 2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane is CCCn1ncc(Cl)c1C1(C2CC2)CCCCCN1.
What is the InChIKey of 2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane?
The InChIKey is OPYUGUABOIMGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-2-10-19-14(13(16)11-18-19)15(12-6-7-12)8-4-3-5-9-17-15/h11-12,17H,2-10H2,1H3.
What are the key properties of 2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane?
2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane has a molecular weight of 281.83 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane is sourced from PubChem (CID 114657376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).