(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide

C13H21ClN4O — CID 51392006

IUPAC(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@@H](Cn1cc(Cl)cn1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C13H21ClN4O/c1-10(8-18-9-11(14)7-15-18)13(19)16-12-3-5-17(2)6-4-12/h7,9-10,12H,3-6,8H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeySUHNGFMIKFWNRV-JTQLQIEISA-N
MW284.79 g/mol
LogP1.38
Rot. Bonds4

About (2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide

(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 51392006) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is (2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID51392006
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@@H](Cn1cc(Cl)cn1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C13H21ClN4O/c1-10(8-18-9-11(14)7-15-18)13(19)16-12-3-5-17(2)6-4-12/h7,9-10,12H,3-6,8H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeySUHNGFMIKFWNRV-JTQLQIEISA-N
XLogP1.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
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(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
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(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
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3-(4-chloropyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19570296
3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19570486
3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
CID 19570569
(6R,7S)-3-(acetyloxymethyl)-7-[[(2R)-3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 51473456

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 51392006) is (2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide is C[C@@H](Cn1cc(Cl)cn1)C(=O)NC1CCN(C)CC1.
What is the InChIKey of (2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is SUHNGFMIKFWNRV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-10(8-18-9-11(14)7-15-18)13(19)16-12-3-5-17(2)6-4-12/h7,9-10,12H,3-6,8H2,1-2H3,(H,16,19)/t10-/m0/s1.
What are the key properties of (2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 284.79 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 51392006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).