4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile

C19H24N4O — CID 129446448

IUPAC4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile
SMILESCc1c([C@H](C)NC[C@@H]2CCC[C@H]2O)cnn1-c1ccc(C#N)cc1
InChIInChI=1S/C19H24N4O/c1-13(21-11-16-4-3-5-19(16)24)18-12-22-23(14(18)2)17-8-6-15(10-20)7-9-17/h6-9,12-13,16,19,21,24H,3-5,11H2,1-2H3/t13-,16-,19+/m0/s1
InChIKeyWVRIAXRSHKSRKD-IYJAJMOOSA-N
MW324.43 g/mol
LogP2.86
Rot. Bonds5

About 4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile

4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile (PubChem CID 129446448) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile
PubChem CID129446448
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile
SMILESCc1c([C@H](C)NC[C@@H]2CCC[C@H]2O)cnn1-c1ccc(C#N)cc1
InChIInChI=1S/C19H24N4O/c1-13(21-11-16-4-3-5-19(16)24)18-12-22-23(14(18)2)17-8-6-15(10-20)7-9-17/h6-9,12-13,16,19,21,24H,3-5,11H2,1-2H3/t13-,16-,19+/m0/s1
InChIKeyWVRIAXRSHKSRKD-IYJAJMOOSA-N
XLogP2.86
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[1-(2-hydroxypropylamino)ethyl]-5-methylpyrazol-1-yl]benzonitrile
CID 110010060
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4-[4-[(1R)-1-aminoethyl]-5-methylpyrazol-1-yl]benzonitrile
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4-[4-[1-[(4-hydroxy-1-methylsulfanylbutan-2-yl)amino]ethyl]-5-methylpyrazol-1-yl]benzonitrile
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CID 61273138
2-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64927227
4-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 64911456
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
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N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
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2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103786858
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile?
The IUPAC name of 4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile (CID 129446448) is 4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile?
The canonical SMILES for 4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile is Cc1c([C@H](C)NC[C@@H]2CCC[C@H]2O)cnn1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile?
The InChIKey is WVRIAXRSHKSRKD-IYJAJMOOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(21-11-16-4-3-5-19(16)24)18-12-22-23(14(18)2)17-8-6-15(10-20)7-9-17/h6-9,12-13,16,19,21,24H,3-5,11H2,1-2H3/t13-,16-,19+/m0/s1.
What are the key properties of 4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile?
4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile has a molecular weight of 324.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S)-1-[[(1S,2R)-2-hydroxycyclopentyl]methylamino]ethyl]-5-methylpyrazol-1-yl]benzonitrile is sourced from PubChem (CID 129446448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).