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

C12H16ClN3O — CID 66399745

IUPAC[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
SMILESCCn1nc(C)c(Cl)c1Cn1ccc(CO)c1
InChIInChI=1S/C12H16ClN3O/c1-3-16-11(12(13)9(2)14-16)7-15-5-4-10(6-15)8-17/h4-6,17H,3,7-8H2,1-2H3
InChIKeyUGCLQUAMIOUHML-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.21
Rot. Bonds4

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

[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 66399745) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
PubChem CID66399745
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
SMILESCCn1nc(C)c(Cl)c1Cn1ccc(CO)c1
InChIInChI=1S/C12H16ClN3O/c1-3-16-11(12(13)9(2)14-16)7-15-5-4-10(6-15)8-17/h4-6,17H,3,7-8H2,1-2H3
InChIKeyUGCLQUAMIOUHML-UHFFFAOYSA-N
XLogP2.21
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine
CID 79103080
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104694
3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one
CID 82990835
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66405493
1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105296
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491483
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1,3-thiazol-2-one
CID 116622694
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol
CID 66398066
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indole-6-carbaldehyde
CID 102910940
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine
CID 114935734
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-ol
CID 79424330

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol (CID 66399745) is [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol is CCn1nc(C)c(Cl)c1Cn1ccc(CO)c1.
What is the InChIKey of [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is UGCLQUAMIOUHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-3-16-11(12(13)9(2)14-16)7-15-5-4-10(6-15)8-17/h4-6,17H,3,7-8H2,1-2H3.
What are the key properties of [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol?
[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol has a molecular weight of 253.73 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66399745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).