(4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C14H21ClN4O2 — CID 171359420

IUPAC(4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CC(O)C(N3CCCC3)C2)c1Cl
InChIInChI=1S/C14H21ClN4O2/c1-9-12(15)13(17(2)16-9)14(21)19-7-10(11(20)8-19)18-5-3-4-6-18/h10-11,20H,3-8H2,1-2H3
InChIKeyFMKAMECGKYOLHU-UHFFFAOYSA-N
MW312.80 g/mol
LogP0.66
Rot. Bonds2

About (4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

(4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 171359420) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is (4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID171359420
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name(4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CC(O)C(N3CCCC3)C2)c1Cl
InChIInChI=1S/C14H21ClN4O2/c1-9-12(15)13(17(2)16-9)14(21)19-7-10(11(20)8-19)18-5-3-4-6-18/h10-11,20H,3-8H2,1-2H3
InChIKeyFMKAMECGKYOLHU-UHFFFAOYSA-N
XLogP0.66
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 171359420) is (4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is Cc1nn(C)c(C(=O)N2CC(O)C(N3CCCC3)C2)c1Cl.
What is the InChIKey of (4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is FMKAMECGKYOLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-9-12(15)13(17(2)16-9)14(21)19-7-10(11(20)8-19)18-5-3-4-6-18/h10-11,20H,3-8H2,1-2H3.
What are the key properties of (4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
(4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 312.80 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 171359420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).