(2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile

C18H22N4 — CID 94797995

IUPAC(2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile
SMILESC[C@@H](C#N)CN(C)Cc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C18H22N4/c1-14(11-19)12-21(2)13-17-16-9-6-10-18(16)22(20-17)15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyIRCRTINJXNUQCH-AWEZNQCLSA-N
MW294.40 g/mol
LogP2.95
Rot. Bonds5

About (2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile

(2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile (PubChem CID 94797995) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name(2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile
PubChem CID94797995
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name(2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile
SMILESC[C@@H](C#N)CN(C)Cc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C18H22N4/c1-14(11-19)12-21(2)13-17-16-9-6-10-18(16)22(20-17)15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyIRCRTINJXNUQCH-AWEZNQCLSA-N
XLogP2.95
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile?
The IUPAC name of (2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile (CID 94797995) is (2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile.
What is the SMILES notation for (2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile?
The canonical SMILES for (2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile is C[C@@H](C#N)CN(C)Cc1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of (2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile?
The InChIKey is IRCRTINJXNUQCH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4/c1-14(11-19)12-21(2)13-17-16-9-6-10-18(16)22(20-17)15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-10,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile?
(2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile has a molecular weight of 294.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 94797995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).