(5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C18H25N5O — CID 56779589

IUPAC(5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2cnn(C)c2C2CC2)n1
InChIInChI=1S/C18H25N5O/c1-12-9-13(2)23(20-12)11-15-5-4-8-22(15)18(24)16-10-19-21(3)17(16)14-6-7-14/h9-10,14-15H,4-8,11H2,1-3H3
InChIKeyAJSXQOHSFOHJGD-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.42
Rot. Bonds4

About (5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 56779589) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID56779589
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2cnn(C)c2C2CC2)n1
InChIInChI=1S/C18H25N5O/c1-12-9-13(2)23(20-12)11-15-5-4-8-22(15)18(24)16-10-19-21(3)17(16)14-6-7-14/h9-10,14-15H,4-8,11H2,1-3H3
InChIKeyAJSXQOHSFOHJGD-UHFFFAOYSA-N
XLogP2.42
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 56779589) is (5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)n(CC2CCCN2C(=O)c2cnn(C)c2C2CC2)n1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is AJSXQOHSFOHJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-9-13(2)23(20-12)11-15-5-4-8-22(15)18(24)16-10-19-21(3)17(16)14-6-7-14/h9-10,14-15H,4-8,11H2,1-3H3.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).