2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol

C13H24ClN3O — CID 114665970

IUPAC2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCCCn1ncc(Cl)c1C(C)(O)CCNC(C)C
InChIInChI=1S/C13H24ClN3O/c1-5-8-17-12(11(14)9-16-17)13(4,18)6-7-15-10(2)3/h9-10,15,18H,5-8H2,1-4H3
InChIKeyPIEHFRLNIYWYDZ-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.54
Rot. Bonds7

About 2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol

2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol (PubChem CID 114665970) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
PubChem CID114665970
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCCCn1ncc(Cl)c1C(C)(O)CCNC(C)C
InChIInChI=1S/C13H24ClN3O/c1-5-8-17-12(11(14)9-16-17)13(4,18)6-7-15-10(2)3/h9-10,15,18H,5-8H2,1-4H3
InChIKeyPIEHFRLNIYWYDZ-UHFFFAOYSA-N
XLogP2.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-(propylamino)butan-2-ol
CID 114665955
N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662779
5-(4-bromo-2-methylpentan-2-yl)-4-chloro-1-propylpyrazole
CID 114665595
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832778
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633383
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol
CID 114666035
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]hex-5-en-2-ol
CID 114638272
2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 106463854
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105042810

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol (CID 114665970) is 2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol is CCCn1ncc(Cl)c1C(C)(O)CCNC(C)C.
What is the InChIKey of 2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is PIEHFRLNIYWYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-5-8-17-12(11(14)9-16-17)13(4,18)6-7-15-10(2)3/h9-10,15,18H,5-8H2,1-4H3.
What are the key properties of 2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol?
2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 273.81 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 114665970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).