[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone

C12H20N4O2 — CID 114255135

IUPAC[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(C(C)N)C2)nn1C
InChIInChI=1S/C12H20N4O2/c1-8(13)9-4-5-16(7-9)12(17)10-6-11(18-3)15(2)14-10/h6,8-9H,4-5,7,13H2,1-3H3
InChIKeySYWFIRPIMXLCOK-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.24
Rot. Bonds3

About [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone

[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone (PubChem CID 114255135) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone
PubChem CID114255135
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(C(C)N)C2)nn1C
InChIInChI=1S/C12H20N4O2/c1-8(13)9-4-5-16(7-9)12(17)10-6-11(18-3)15(2)14-10/h6,8-9H,4-5,7,13H2,1-3H3
InChIKeySYWFIRPIMXLCOK-UHFFFAOYSA-N
XLogP0.24
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone 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

[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 119518635
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114255131
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 114022814
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 112630740
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 112630666
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 103946512
[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81119549

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone (CID 114255135) is [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone is COc1cc(C(=O)N2CCC(C(C)N)C2)nn1C.
What is the InChIKey of [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone?
The InChIKey is SYWFIRPIMXLCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(13)9-4-5-16(7-9)12(17)10-6-11(18-3)15(2)14-10/h6,8-9H,4-5,7,13H2,1-3H3.
What are the key properties of [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone?
[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 114255135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).