[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

C13H22N4O — CID 115491804

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CC(CN)CC1C
InChIInChI=1S/C13H22N4O/c1-4-17-12(5-9(2)15-17)13(18)16-8-11(7-14)6-10(16)3/h5,10-11H,4,6-8,14H2,1-3H3
InChIKeyPHGBNTVPIBPDJY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.02
Rot. Bonds3

About [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 115491804) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID115491804
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CC(CN)CC1C
InChIInChI=1S/C13H22N4O/c1-4-17-12(5-9(2)15-17)13(18)16-8-11(7-14)6-10(16)3/h5,10-11H,4,6-8,14H2,1-3H3
InChIKeyPHGBNTVPIBPDJY-UHFFFAOYSA-N
XLogP1.02
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 79994530
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone
CID 114269670
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 103575707
(2-ethyl-5-methylpyrazol-3-yl)-(2-methylpiperazin-1-yl)methanone
CID 66120880
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 66120281
(2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone
CID 154861911
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 103840438
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one
CID 63662892
(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470
(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292643
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 115491804) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)N1CC(CN)CC1C.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is PHGBNTVPIBPDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17-12(5-9(2)15-17)13(18)16-8-11(7-14)6-10(16)3/h5,10-11H,4,6-8,14H2,1-3H3.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.02, 3 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]-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 115491804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).