5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole

C12H17N5 — CID 73440525

IUPAC5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1C1CCCN1Cc1ncc[nH]1
InChIInChI=1S/C12H17N5/c1-9-7-15-16-12(9)10-3-2-6-17(10)8-11-13-4-5-14-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyWSXSXWRLZYSHBY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.78
Rot. Bonds3

About 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole

5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole (PubChem CID 73440525) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole
PubChem CID73440525
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1C1CCCN1Cc1ncc[nH]1
InChIInChI=1S/C12H17N5/c1-9-7-15-16-12(9)10-3-2-6-17(10)8-11-13-4-5-14-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyWSXSXWRLZYSHBY-UHFFFAOYSA-N
XLogP1.78
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The IUPAC name of 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole (CID 73440525) is 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The canonical SMILES for 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole is Cc1cn[nH]c1C1CCCN1Cc1ncc[nH]1.
What is the InChIKey of 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The InChIKey is WSXSXWRLZYSHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-7-15-16-12(9)10-3-2-6-17(10)8-11-13-4-5-14-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole has a molecular weight of 231.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole is sourced from PubChem (CID 73440525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).