3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol

C14H23ClN4O — CID 114633883

IUPAC3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol
SMILESCN(C)CCn1ncc(Cl)c1C1(O)CCN(C2CC2)C1
InChIInChI=1S/C14H23ClN4O/c1-17(2)7-8-19-13(12(15)9-16-19)14(20)5-6-18(10-14)11-3-4-11/h9,11,20H,3-8,10H2,1-2H3
InChIKeyNBBCEQCYGIDANI-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.15
Rot. Bonds5

About 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol

3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol (PubChem CID 114633883) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol
PubChem CID114633883
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol
SMILESCN(C)CCn1ncc(Cl)c1C1(O)CCN(C2CC2)C1
InChIInChI=1S/C14H23ClN4O/c1-17(2)7-8-19-13(12(15)9-16-19)14(20)5-6-18(10-14)11-3-4-11/h9,11,20H,3-8,10H2,1-2H3
InChIKeyNBBCEQCYGIDANI-UHFFFAOYSA-N
XLogP1.15
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol
CID 114633263
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-propan-2-ylpiperidin-4-ol
CID 114633711
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methylcycloheptan-1-ol
CID 114636258
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-5-methylthiolan-3-ol
CID 114636853
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
CID 114635870
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4,4-dimethylthian-3-ol
CID 114636880
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol
CID 114637451
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4,4-dimethylcyclohexan-1-ol
CID 114635932
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-1,2-dimethylpiperidin-4-ol
CID 114637385
1-cyclopropyl-3-(1-ethylpyrazol-4-yl)pyrrolidin-3-ol
CID 62975249
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,4-dimethylcyclohexan-1-ol
CID 114636069
4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
CID 114636201

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol?
The IUPAC name of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol (CID 114633883) is 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol.
What is the SMILES notation for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol?
The canonical SMILES for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol is CN(C)CCn1ncc(Cl)c1C1(O)CCN(C2CC2)C1.
What is the InChIKey of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol?
The InChIKey is NBBCEQCYGIDANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-17(2)7-8-19-13(12(15)9-16-19)14(20)5-6-18(10-14)11-3-4-11/h9,11,20H,3-8,10H2,1-2H3.
What are the key properties of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol?
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol has a molecular weight of 298.82 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol is sourced from PubChem (CID 114633883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).