N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

C16H30N4 — CID 115990267

IUPACN-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nn(C)cc1CN1CCC(CNCC(C)C)C1
InChIInChI=1S/C16H30N4/c1-5-16-15(11-19(4)18-16)12-20-7-6-14(10-20)9-17-8-13(2)3/h11,13-14,17H,5-10,12H2,1-4H3
InChIKeyLUZZPDXTQUVRIU-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.05
Rot. Bonds7

About N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 115990267) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID115990267
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nn(C)cc1CN1CCC(CNCC(C)C)C1
InChIInChI=1S/C16H30N4/c1-5-16-15(11-19(4)18-16)12-20-7-6-14(10-20)9-17-8-13(2)3/h11,13-14,17H,5-10,12H2,1-4H3
InChIKeyLUZZPDXTQUVRIU-UHFFFAOYSA-N
XLogP2.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 112672077
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 115885459
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574
N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512223
N-cyclopropyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112672079
(3S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperazine
CID 103918004
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63847810
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 112549377

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (CID 115990267) is N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is CCc1nn(C)cc1CN1CCC(CNCC(C)C)C1.
What is the InChIKey of N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LUZZPDXTQUVRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-16-15(11-19(4)18-16)12-20-7-6-14(10-20)9-17-8-13(2)3/h11,13-14,17H,5-10,12H2,1-4H3.
What are the key properties of N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115990267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).