1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine

C18H26N4 — CID 120843377

IUPAC1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCc1ccc(CN2CCC(C(C)N)C2)c(-c2cnn(C)c2)c1
InChIInChI=1S/C18H26N4/c1-13-4-5-16(12-22-7-6-15(11-22)14(2)19)18(8-13)17-9-20-21(3)10-17/h4-5,8-10,14-15H,6-7,11-12,19H2,1-3H3
InChIKeyFGYKVRIRRDDDNF-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.56
Rot. Bonds4

About 1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine

1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 120843377) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
PubChem CID120843377
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCc1ccc(CN2CCC(C(C)N)C2)c(-c2cnn(C)c2)c1
InChIInChI=1S/C18H26N4/c1-13-4-5-16(12-22-7-6-15(11-22)14(2)19)18(8-13)17-9-20-21(3)10-17/h4-5,8-10,14-15H,6-7,11-12,19H2,1-3H3
InChIKeyFGYKVRIRRDDDNF-UHFFFAOYSA-N
XLogP2.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843400
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 104869878
3-[(3S)-1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 129481853
1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843370
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975682
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 106869306
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
4-(2-fluoro-5-methylphenyl)-1-methylpyrazole
CID 59578603
1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine
CID 113360749
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
1-[1-[[2-(methoxymethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975618

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine (CID 120843377) is 1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine is Cc1ccc(CN2CCC(C(C)N)C2)c(-c2cnn(C)c2)c1.
What is the InChIKey of 1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is FGYKVRIRRDDDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-13-4-5-16(12-22-7-6-15(11-22)14(2)19)18(8-13)17-9-20-21(3)10-17/h4-5,8-10,14-15H,6-7,11-12,19H2,1-3H3.
What are the key properties of 1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 298.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 120843377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).