1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol

C14H20ClN3O — CID 79105390

IUPAC1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCc1nn(C)c(Cn2ccc(C(O)CC)c2)c1Cl
InChIInChI=1S/C14H20ClN3O/c1-4-11-14(15)12(17(3)16-11)9-18-7-6-10(8-18)13(19)5-2/h6-8,13,19H,4-5,9H2,1-3H3
InChIKeyUUUMGYNQILTZPC-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.93
Rot. Bonds5

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

1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79105390) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID79105390
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCc1nn(C)c(Cn2ccc(C(O)CC)c2)c1Cl
InChIInChI=1S/C14H20ClN3O/c1-4-11-14(15)12(17(3)16-11)9-18-7-6-10(8-18)13(19)5-2/h6-8,13,19H,4-5,9H2,1-3H3
InChIKeyUUUMGYNQILTZPC-UHFFFAOYSA-N
XLogP2.93
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 113470054
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406726
1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105638
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097692
1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-ethylethanamine
CID 79109001
1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105296
[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79098652
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79104672
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109540
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106672188
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrole-2-carbaldehyde
CID 66408783

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 79105390) is 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is CCc1nn(C)c(Cn2ccc(C(O)CC)c2)c1Cl.
What is the InChIKey of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is UUUMGYNQILTZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-4-11-14(15)12(17(3)16-11)9-18-7-6-10(8-18)13(19)5-2/h6-8,13,19H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 281.79 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79105390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).