(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide

C19H25N5O — CID 95155713

IUPAC(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide
SMILESCC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C19H25N5O/c1-5-14(2)24-18(9-10-21-24)22-19(25)15(3)23(4)13-17-8-6-7-16(11-17)12-20/h6-11,14-15H,5,13H2,1-4H3,(H,22,25)/t14-,15-/m1/s1
InChIKeyXKDHQIHYQHXENK-HUUCEWRRSA-N
MW339.44 g/mol
LogP3.18
Rot. Bonds7

About (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide

(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide (PubChem CID 95155713) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide
PubChem CID95155713
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide
SMILESCC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C19H25N5O/c1-5-14(2)24-18(9-10-21-24)22-19(25)15(3)23(4)13-17-8-6-7-16(11-17)12-20/h6-11,14-15H,5,13H2,1-4H3,(H,22,25)/t14-,15-/m1/s1
InChIKeyXKDHQIHYQHXENK-HUUCEWRRSA-N
XLogP3.18
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(3-cyanophenyl)methyl-methylamino]propanamide
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2-[(3-cyanophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55628443
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
3-[(3-cyanophenyl)methyl-methylamino]butanehydrazide
CID 63583351
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102045
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide (CID 95155713) is (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide is CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide?
The InChIKey is XKDHQIHYQHXENK-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H25N5O/c1-5-14(2)24-18(9-10-21-24)22-19(25)15(3)23(4)13-17-8-6-7-16(11-17)12-20/h6-11,14-15H,5,13H2,1-4H3,(H,22,25)/t14-,15-/m1/s1.
What are the key properties of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide?
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 95155713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).