1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol

C13H18ClN3O — CID 113470054

IUPAC1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-4-12(18)10-5-6-17(7-10)8-11-9(2)15-16(3)13(11)14/h5-7,12,18H,4,8H2,1-3H3
InChIKeyHECDHUWEJZXRSV-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.68
Rot. Bonds4

About 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol

1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 113470054) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID113470054
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-4-12(18)10-5-6-17(7-10)8-11-9(2)15-16(3)13(11)14/h5-7,12,18H,4,8H2,1-3H3
InChIKeyHECDHUWEJZXRSV-UHFFFAOYSA-N
XLogP2.68
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105390
1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105296
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol
CID 115832346
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105108
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol
CID 82929201
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109233
1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol
CID 79173585
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-pyrimidin-4-ylethanol
CID 113470079
1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 55117785
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79109333
2-[[3-(1-hydroxypropyl)pyrrol-1-yl]methyl]benzonitrile
CID 79105114

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 113470054) is 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol is CCC(O)c1ccn(Cc2c(C)nn(C)c2Cl)c1.
What is the InChIKey of 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is HECDHUWEJZXRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-4-12(18)10-5-6-17(7-10)8-11-9(2)15-16(3)13(11)14/h5-7,12,18H,4,8H2,1-3H3.
What are the key properties of 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 267.76 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 113470054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).