1-methyl-3-(pyrrol-1-ylmethyl)pyrazole

C9H11N3 — CID 82872029

IUPAC1-methyl-3-(pyrrol-1-ylmethyl)pyrazole
SMILESCn1ccc(Cn2cccc2)n1
InChIInChI=1S/C9H11N3/c1-11-7-4-9(10-11)8-12-5-2-3-6-12/h2-7H,8H2,1H3
InChIKeyXMBHWFAYGHMBHY-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.27
Rot. Bonds2

About 1-methyl-3-(pyrrol-1-ylmethyl)pyrazole

1-methyl-3-(pyrrol-1-ylmethyl)pyrazole (PubChem CID 82872029) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-methyl-3-(pyrrol-1-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(pyrrol-1-ylmethyl)pyrazole
PubChem CID82872029
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-methyl-3-(pyrrol-1-ylmethyl)pyrazole
SMILESCn1ccc(Cn2cccc2)n1
InChIInChI=1S/C9H11N3/c1-11-7-4-9(10-11)8-12-5-2-3-6-12/h2-7H,8H2,1H3
InChIKeyXMBHWFAYGHMBHY-UHFFFAOYSA-N
XLogP1.27
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole
CID 64779775
3-ethyl-1-methylpyrazole;propane
CID 170573719
1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 63811432
3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 114761326
3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 82882780
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870401
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82871323
2-[(1-methylpyrazol-3-yl)methylsulfanyl]aniline
CID 82865720
[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol
CID 82876865
3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-amine
CID 82871072
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrrol-1-ylmethyl)pyrazole?
The IUPAC name of 1-methyl-3-(pyrrol-1-ylmethyl)pyrazole (CID 82872029) is 1-methyl-3-(pyrrol-1-ylmethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(pyrrol-1-ylmethyl)pyrazole?
The canonical SMILES for 1-methyl-3-(pyrrol-1-ylmethyl)pyrazole is Cn1ccc(Cn2cccc2)n1.
What is the InChIKey of 1-methyl-3-(pyrrol-1-ylmethyl)pyrazole?
The InChIKey is XMBHWFAYGHMBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-11-7-4-9(10-11)8-12-5-2-3-6-12/h2-7H,8H2,1H3.
What are the key properties of 1-methyl-3-(pyrrol-1-ylmethyl)pyrazole?
1-methyl-3-(pyrrol-1-ylmethyl)pyrazole has a molecular weight of 161.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrrol-1-ylmethyl)pyrazole is sourced from PubChem (CID 82872029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).