2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine

C14H22N4 — CID 114279094

IUPAC2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCc1cnn(CCn2ccc(C(N)C(C)C)c2)c1
InChIInChI=1S/C14H22N4/c1-11(2)14(15)13-4-5-17(10-13)6-7-18-9-12(3)8-16-18/h4-5,8-11,14H,6-7,15H2,1-3H3
InChIKeyXFHXLBJTUZVFOY-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.35
Rot. Bonds5

About 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine

2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine (PubChem CID 114279094) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine
PubChem CID114279094
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCc1cnn(CCn2ccc(C(N)C(C)C)c2)c1
InChIInChI=1S/C14H22N4/c1-11(2)14(15)13-4-5-17(10-13)6-7-18-9-12(3)8-16-18/h4-5,8-11,14H,6-7,15H2,1-3H3
InChIKeyXFHXLBJTUZVFOY-UHFFFAOYSA-N
XLogP2.35
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097031
1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097206
1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097964
4-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]-2,2-dimethylbutanenitrile
CID 79097038
2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide
CID 79096871
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79096865
(1S)-1-(4-bromophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 97073564
2-methyl-1-[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097204
1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098047
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097208
1-(4-bromobutyl)-4-methylpyrazole
CID 60871748
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097126

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine (CID 114279094) is 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine is Cc1cnn(CCn2ccc(C(N)C(C)C)c2)c1.
What is the InChIKey of 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is XFHXLBJTUZVFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11(2)14(15)13-4-5-17(10-13)6-7-18-9-12(3)8-16-18/h4-5,8-11,14H,6-7,15H2,1-3H3.
What are the key properties of 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine?
2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 114279094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).