N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine

C14H26N4 — CID 114263166

IUPACN-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cn(C)nc2C(C)C)C1
InChIInChI=1S/C14H26N4/c1-5-15-8-12-6-7-18(9-12)13-10-17(4)16-14(13)11(2)3/h10-12,15H,5-9H2,1-4H3
InChIKeyDKTNWRUSURYXAO-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.98
Rot. Bonds5

About N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 114263166) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID114263166
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cn(C)nc2C(C)C)C1
InChIInChI=1S/C14H26N4/c1-5-15-8-12-6-7-18(9-12)13-10-17(4)16-14(13)11(2)3/h10-12,15H,5-9H2,1-4H3
InChIKeyDKTNWRUSURYXAO-UHFFFAOYSA-N
XLogP1.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 95149337
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
[1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 107464849
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
N-[[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 62592540
N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62914683
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513073
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,5-diazocane
CID 114263191
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]ethanamine
CID 66475846
N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792843
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62513771

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine (CID 114263166) is N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(c2cn(C)nc2C(C)C)C1.
What is the InChIKey of N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is DKTNWRUSURYXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-15-8-12-6-7-18(9-12)13-10-17(4)16-14(13)11(2)3/h10-12,15H,5-9H2,1-4H3.
What are the key properties of N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 114263166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).