4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine

C20H22N4 — CID 126428744

IUPAC4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine
SMILESC[C@H](c1ccc(-c2cn[nH]c2-c2ccncc2)cc1)N1CCCC1
InChIInChI=1S/C20H22N4/c1-15(24-12-2-3-13-24)16-4-6-17(7-5-16)19-14-22-23-20(19)18-8-10-21-11-9-18/h4-11,14-15H,2-3,12-13H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyPGRLUKGZJXRXDW-OAHLLOKOSA-N
MW318.42 g/mol
LogP4.30
Rot. Bonds4

About 4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine

4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine (PubChem CID 126428744) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine
PubChem CID126428744
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine
SMILESC[C@H](c1ccc(-c2cn[nH]c2-c2ccncc2)cc1)N1CCCC1
InChIInChI=1S/C20H22N4/c1-15(24-12-2-3-13-24)16-4-6-17(7-5-16)19-14-22-23-20(19)18-8-10-21-11-9-18/h4-11,14-15H,2-3,12-13H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyPGRLUKGZJXRXDW-OAHLLOKOSA-N
XLogP4.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037377
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 143047131
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158061129
4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
CID 19355817
3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one
CID 97436737
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
CID 3321413
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
CID 125436875
3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 143128965
5-fluoro-2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 126453075

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine (CID 126428744) is 4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine is C[C@H](c1ccc(-c2cn[nH]c2-c2ccncc2)cc1)N1CCCC1.
What is the InChIKey of 4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine?
The InChIKey is PGRLUKGZJXRXDW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4/c1-15(24-12-2-3-13-24)16-4-6-17(7-5-16)19-14-22-23-20(19)18-8-10-21-11-9-18/h4-11,14-15H,2-3,12-13H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine?
4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine has a molecular weight of 318.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 126428744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).