(2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide

C13H21N5O2 — CID 124999570

IUPAC(2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)Cn2cccn2)C[C@@H]1C(N)=O
InChIInChI=1S/C13H21N5O2/c1-10(2)18-7-6-16(8-11(18)13(14)20)12(19)9-17-5-3-4-15-17/h3-5,10-11H,6-9H2,1-2H3,(H2,14,20)/t11-/m1/s1
InChIKeyRPRBCLRPAFKQIQ-LLVKDONJSA-N
MW279.34 g/mol
LogP-0.71
Rot. Bonds4

About (2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide

(2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide (PubChem CID 124999570) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide
PubChem CID124999570
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)Cn2cccn2)C[C@@H]1C(N)=O
InChIInChI=1S/C13H21N5O2/c1-10(2)18-7-6-16(8-11(18)13(14)20)12(19)9-17-5-3-4-15-17/h3-5,10-11H,6-9H2,1-2H3,(H2,14,20)/t11-/m1/s1
InChIKeyRPRBCLRPAFKQIQ-LLVKDONJSA-N
XLogP-0.71
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone
CID 81483915
1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119592480
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119380216
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 62349582
4-ethyl-1-propan-2-ylpiperazine-2-carboxamide
CID 167076261
(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 124999111
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 63263322
1-[3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110246532
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 125020200

Frequently Asked Questions

What is the IUPAC name of (2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide (CID 124999570) is (2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide is CC(C)N1CCN(C(=O)Cn2cccn2)C[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide?
The InChIKey is RPRBCLRPAFKQIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10(2)18-7-6-16(8-11(18)13(14)20)12(19)9-17-5-3-4-15-17/h3-5,10-11H,6-9H2,1-2H3,(H2,14,20)/t11-/m1/s1.
What are the key properties of (2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide?
(2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 124999570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).