[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C14H19N5O — CID 56779547

IUPAC[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2ccn[nH]2)n1
InChIInChI=1S/C14H19N5O/c1-10-8-11(2)19(17-10)9-12-4-3-7-18(12)14(20)13-5-6-15-16-13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyWLYJLSAWVMCZEK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.53
Rot. Bonds3

About [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 56779547) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID56779547
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2ccn[nH]2)n1
InChIInChI=1S/C14H19N5O/c1-10-8-11(2)19(17-10)9-12-4-3-7-18(12)14(20)13-5-6-15-16-13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyWLYJLSAWVMCZEK-UHFFFAOYSA-N
XLogP1.53
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10022354, Example 59
CID 121279710
US10022354, Example 58
CID 132070185
US10022354, Example 239
CID 121279651
N'-[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
CID 7340169
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
US10022354, Example 165
CID 121279436
US10022354, Example 113
CID 121279595
US10022354, Example 238
CID 121279601
US10022354, Example 234
CID 121279612
US10022354, Example 235
CID 121279628
US10022354, Example 112
CID 132070192
US10022354, Example 240
CID 121279653

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 56779547) is [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1cc(C)n(CC2CCCN2C(=O)c2ccn[nH]2)n1.
What is the InChIKey of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is WLYJLSAWVMCZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-8-11(2)19(17-10)9-12-4-3-7-18(12)14(20)13-5-6-15-16-13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,15,16).
What are the key properties of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 56779547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).