[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone

C12H20N4O — CID 103840438

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CC(CN)CC1C
InChIInChI=1S/C12H20N4O/c1-8-4-10(5-13)6-16(8)12(17)11-7-15(3)14-9(11)2/h7-8,10H,4-6,13H2,1-3H3
InChIKeyCWLLHTFRDCLVFI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.54
Rot. Bonds2

About [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 103840438) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID103840438
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CC(CN)CC1C
InChIInChI=1S/C12H20N4O/c1-8-4-10(5-13)6-16(8)12(17)11-7-15(3)14-9(11)2/h7-8,10H,4-6,13H2,1-3H3
InChIKeyCWLLHTFRDCLVFI-UHFFFAOYSA-N
XLogP0.54
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 113322480
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 115491804
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 115491945
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone
CID 114269670
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866771
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 104615552
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103840455
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 113322442
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-chloro-2-nitrophenyl)methanone
CID 115491876
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 115491792
(1,3-dimethylpyrazol-4-yl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100670652
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 115491771

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone (CID 103840438) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone is Cc1nn(C)cc1C(=O)N1CC(CN)CC1C.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is CWLLHTFRDCLVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-4-10(5-13)6-16(8)12(17)11-7-15(3)14-9(11)2/h7-8,10H,4-6,13H2,1-3H3.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 103840438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).