N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine

C11H20ClN3 — CID 114662779

IUPACN-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
SMILESCCCn1ncc(Cl)c1CCNC(C)C
InChIInChI=1S/C11H20ClN3/c1-4-7-15-11(10(12)8-14-15)5-6-13-9(2)3/h8-9,13H,4-7H2,1-3H3
InChIKeyJFIBTDDJDTYDDJ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.49
Rot. Bonds6

About N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine

N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine (PubChem CID 114662779) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
PubChem CID114662779
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC NameN-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
SMILESCCCn1ncc(Cl)c1CCNC(C)C
InChIInChI=1S/C11H20ClN3/c1-4-7-15-11(10(12)8-14-15)5-6-13-9(2)3/h8-9,13H,4-7H2,1-3H3
InChIKeyJFIBTDDJDTYDDJ-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
CID 114664972
2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114665970
3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine
CID 114664429
1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one
CID 114663535
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethoxy-N-propylpropan-1-amine
CID 114652910
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 114665292
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520
N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662776
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine
CID 84776617
N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine
CID 114652221
[1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105337196

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine (CID 114662779) is N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine is CCCn1ncc(Cl)c1CCNC(C)C.
What is the InChIKey of N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine?
The InChIKey is JFIBTDDJDTYDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-4-7-15-11(10(12)8-14-15)5-6-13-9(2)3/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine?
N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine has a molecular weight of 229.75 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 114662779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).