4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide

C12H21N5O3S — CID 94102189

IUPAC4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
SMILESC[C@H](Cn1cccn1)NC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H21N5O3S/c1-11(10-16-5-3-4-13-16)14-12(18)15-6-8-17(9-7-15)21(2,19)20/h3-5,11H,6-10H2,1-2H3,(H,14,18)/t11-/m1/s1
InChIKeyFYFFABYLJFBLFU-LLVKDONJSA-N
MW315.40 g/mol
LogP-0.44
Rot. Bonds4

About 4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide

4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide (PubChem CID 94102189) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
PubChem CID94102189
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
SMILESC[C@H](Cn1cccn1)NC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H21N5O3S/c1-11(10-16-5-3-4-13-16)14-12(18)15-6-8-17(9-7-15)21(2,19)20/h3-5,11H,6-10H2,1-2H3,(H,14,18)/t11-/m1/s1
InChIKeyFYFFABYLJFBLFU-LLVKDONJSA-N
XLogP-0.44
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-pyrazol-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
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1-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-3-pyrazol-1-ylpropan-1-one
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4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide
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2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
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2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
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1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
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(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031066
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
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1-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 65463788

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide (CID 94102189) is 4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide is C[C@H](Cn1cccn1)NC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide?
The InChIKey is FYFFABYLJFBLFU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-11(10-16-5-3-4-13-16)14-12(18)15-6-8-17(9-7-15)21(2,19)20/h3-5,11H,6-10H2,1-2H3,(H,14,18)/t11-/m1/s1.
What are the key properties of 4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide?
4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide has a molecular weight of 315.40 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 94102189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).