N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C13H24N4 — CID 106603461

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCN1)C(C)c1cnn(C)c1
InChIInChI=1S/C13H24N4/c1-4-17(10-13-6-5-7-14-13)11(2)12-8-15-16(3)9-12/h8-9,11,13-14H,4-7,10H2,1-3H3
InChIKeyLXYKKFKUELRUEY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.55
Rot. Bonds5

About N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine

N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106603461) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106603461
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCN1)C(C)c1cnn(C)c1
InChIInChI=1S/C13H24N4/c1-4-17(10-13-6-5-7-14-13)11(2)12-8-15-16(3)9-12/h8-9,11,13-14H,4-7,10H2,1-3H3
InChIKeyLXYKKFKUELRUEY-UHFFFAOYSA-N
XLogP1.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602551
N-[1-(1-ethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602881
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-ethyl-1-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603598
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-ethyl-N-(piperidin-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 106622495
4-[1-[ethyl(piperidin-2-ylmethyl)amino]ethyl]benzonitrile
CID 106622496
1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid
CID 65063078
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622204
N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106603461) is N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(CC1CCCN1)C(C)c1cnn(C)c1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is LXYKKFKUELRUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-17(10-13-6-5-7-14-13)11(2)12-8-15-16(3)9-12/h8-9,11,13-14H,4-7,10H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106603461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).