5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole

C9H15N3 — CID 126990232

IUPAC5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
SMILESCc1cc(CN2CCCC2)n[nH]1
InChIInChI=1S/C9H15N3/c1-8-6-9(11-10-8)7-12-4-2-3-5-12/h6H,2-5,7H2,1H3,(H,10,11)
InChIKeyTVFGJMYMLLWWNG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.31
Rot. Bonds2

About 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole

5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole (PubChem CID 126990232) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
PubChem CID126990232
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
SMILESCc1cc(CN2CCCC2)n[nH]1
InChIInChI=1S/C9H15N3/c1-8-6-9(11-10-8)7-12-4-2-3-5-12/h6H,2-5,7H2,1H3,(H,10,11)
InChIKeyTVFGJMYMLLWWNG-UHFFFAOYSA-N
XLogP1.31
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 142930412
(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine
CID 95935060
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
CID 46998417
(1S,5R)-3-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154906793
1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine
CID 13211763
8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane
CID 166271361
2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone
CID 110848830
4-[[(3aS,8aR)-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]methyl]-2-methyl-1,3-thiazole
CID 155877144
1-(2-methylpropyl)-4-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidine
CID 42596278
4-N,4-N-dimethyl-6-N-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888630
1-(aziridin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 130643669
1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine
CID 126893111

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole?
The IUPAC name of 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole (CID 126990232) is 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole?
The canonical SMILES for 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole is Cc1cc(CN2CCCC2)n[nH]1.
What is the InChIKey of 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole?
The InChIKey is TVFGJMYMLLWWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-6-9(11-10-8)7-12-4-2-3-5-12/h6H,2-5,7H2,1H3,(H,10,11).
What are the key properties of 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole?
5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole has a molecular weight of 165.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole is sourced from PubChem (CID 126990232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).