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

C14H26N4 — CID 114075931

IUPACN-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C)C1c1cnn(C(C)C)c1
InChIInChI=1S/C14H26N4/c1-5-15-8-12-6-7-17(4)14(12)13-9-16-18(10-13)11(2)3/h9-12,14-15H,5-8H2,1-4H3
InChIKeyUDBLQWPAXRSAKL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.07
Rot. Bonds5

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

N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 114075931) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID114075931
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C)C1c1cnn(C(C)C)c1
InChIInChI=1S/C14H26N4/c1-5-15-8-12-6-7-17(4)14(12)13-9-16-18(10-13)11(2)3/h9-12,14-15H,5-8H2,1-4H3
InChIKeyUDBLQWPAXRSAKL-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]ethanamine
CID 103573230
N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 115528974
5-[3-(ethylaminomethyl)-1-methylpyrrolidin-2-yl]-2-methoxybenzonitrile
CID 65336214
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 103573232
N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 66131370
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 103570717
N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 66161976
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114075415
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
CID 81018130
1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114104938
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997330

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine (CID 114075931) is N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(C)C1c1cnn(C(C)C)c1.
What is the InChIKey of N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is UDBLQWPAXRSAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-15-8-12-6-7-17(4)14(12)13-9-16-18(10-13)11(2)3/h9-12,14-15H,5-8H2,1-4H3.
What are the key properties of N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 114075931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).