(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C13H17N5O — CID 95824584

IUPAC(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cn[nH]c1[C@H]1CCCN1C(=O)c1cnn(C)c1
InChIInChI=1S/C13H17N5O/c1-9-6-14-16-12(9)11-4-3-5-18(11)13(19)10-7-15-17(2)8-10/h6-8,11H,3-5H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeySCDHJXXWHSZUOA-LLVKDONJSA-N
MW259.31 g/mol
LogP1.43
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 95824584) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID95824584
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cn[nH]c1[C@H]1CCCN1C(=O)c1cnn(C)c1
InChIInChI=1S/C13H17N5O/c1-9-6-14-16-12(9)11-4-3-5-18(11)13(19)10-7-15-17(2)8-10/h6-8,11H,3-5H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeySCDHJXXWHSZUOA-LLVKDONJSA-N
XLogP1.43
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-3-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824417
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110270767
[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95845828
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95824408
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127247295
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-methylpyrazol-4-yl)methanone
CID 42919961
N,N-diethyl-5-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967626
N,N-diethyl-5-[(2S)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967625
1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 127247346
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124941822
1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95824362

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 95824584) is (1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cn[nH]c1[C@H]1CCCN1C(=O)c1cnn(C)c1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SCDHJXXWHSZUOA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-6-14-16-12(9)11-4-3-5-18(11)13(19)10-7-15-17(2)8-10/h6-8,11H,3-5H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 259.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95824584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).