1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine

C15H20N4 — CID 82171777

IUPAC1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine
SMILESCc1ccccc1-n1nc(CN2CCCC2)cc1N
InChIInChI=1S/C15H20N4/c1-12-6-2-3-7-14(12)19-15(16)10-13(17-19)11-18-8-4-5-9-18/h2-3,6-7,10H,4-5,8-9,11,16H2,1H3
InChIKeyYTPRONOWQIGYSH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.36
Rot. Bonds3

About 1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine

1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine (PubChem CID 82171777) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine
PubChem CID82171777
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine
SMILESCc1ccccc1-n1nc(CN2CCCC2)cc1N
InChIInChI=1S/C15H20N4/c1-12-6-2-3-7-14(12)19-15(16)10-13(17-19)11-18-8-4-5-9-18/h2-3,6-7,10H,4-5,8-9,11,16H2,1H3
InChIKeyYTPRONOWQIGYSH-UHFFFAOYSA-N
XLogP2.36
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(morpholin-4-ylmethyl)-1-phenylpyrazol-5-amine
CID 82171782
3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine
CID 82088784
3-N,3-N-dimethyl-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 83864038
1-(2-bromophenyl)-3-ethylpyrazol-5-amine
CID 82091920
1-(2-methylphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4598830
1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine
CID 82171705
1-(4-chloro-2-methylphenyl)-3-ethylpyrazol-5-amine
CID 82083527
1-(2-fluorophenyl)-3-propylpyrazol-5-amine
CID 82079514
2-[2-(aminomethyl)phenyl]-5-methylpyrazol-3-amine
CID 84776867
4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056348
1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine
CID 82171714
(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine?
The IUPAC name of 1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine (CID 82171777) is 1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine is Cc1ccccc1-n1nc(CN2CCCC2)cc1N.
What is the InChIKey of 1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine?
The InChIKey is YTPRONOWQIGYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-6-2-3-7-14(12)19-15(16)10-13(17-19)11-18-8-4-5-9-18/h2-3,6-7,10H,4-5,8-9,11,16H2,1H3.
What are the key properties of 1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine?
1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine has a molecular weight of 256.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 82171777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).