1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine

C14H27N5 — CID 79304239

IUPAC1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine
SMILESCCN1CCCC1CN(C)CCCn1ccc(N)n1
InChIInChI=1S/C14H27N5/c1-3-18-9-4-6-13(18)12-17(2)8-5-10-19-11-7-14(15)16-19/h7,11,13H,3-6,8-10,12H2,1-2H3,(H2,15,16)
InChIKeyDNMLGTDPSOHVCQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.27
Rot. Bonds7

About 1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine

1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine (PubChem CID 79304239) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine
PubChem CID79304239
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine
SMILESCCN1CCCC1CN(C)CCCn1ccc(N)n1
InChIInChI=1S/C14H27N5/c1-3-18-9-4-6-13(18)12-17(2)8-5-10-19-11-7-14(15)16-19/h7,11,13H,3-6,8-10,12H2,1-2H3,(H2,15,16)
InChIKeyDNMLGTDPSOHVCQ-UHFFFAOYSA-N
XLogP1.27
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-ethylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318334
4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303507
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 63316143
2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303181
1-[2-(2-methylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318333
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpentan-1-amine
CID 79318514
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79312532
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanenitrile
CID 115277934
1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 79310265

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine (CID 79304239) is 1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine is CCN1CCCC1CN(C)CCCn1ccc(N)n1.
What is the InChIKey of 1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine?
The InChIKey is DNMLGTDPSOHVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-3-18-9-4-6-13(18)12-17(2)8-5-10-19-11-7-14(15)16-19/h7,11,13H,3-6,8-10,12H2,1-2H3,(H2,15,16).
What are the key properties of 1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine?
1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine has a molecular weight of 265.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine is sourced from PubChem (CID 79304239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).