(1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C12H15N5O — CID 110269349

IUPAC(1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCCC2c2ccn[nH]2)n1
InChIInChI=1S/C12H15N5O/c1-16-8-5-10(15-16)12(18)17-7-2-3-11(17)9-4-6-13-14-9/h4-6,8,11H,2-3,7H2,1H3,(H,13,14)
InChIKeyRJRGBCFXOYGHMS-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.12
Rot. Bonds2

About (1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 110269349) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID110269349
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCCC2c2ccn[nH]2)n1
InChIInChI=1S/C12H15N5O/c1-16-8-5-10(15-16)12(18)17-7-2-3-11(17)9-4-6-13-14-9/h4-6,8,11H,2-3,7H2,1H3,(H,13,14)
InChIKeyRJRGBCFXOYGHMS-UHFFFAOYSA-N
XLogP1.12
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 110269349) is (1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cn1ccc(C(=O)N2CCCC2c2ccn[nH]2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RJRGBCFXOYGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-16-8-5-10(15-16)12(18)17-7-2-3-11(17)9-4-6-13-14-9/h4-6,8,11H,2-3,7H2,1H3,(H,13,14).
What are the key properties of (1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 245.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110269349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).