N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C15H28N4 — CID 106616829

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCc1ccnn1C)CC1CCCN1
InChIInChI=1S/C15H28N4/c1-3-4-11-19(13-14-6-5-9-16-14)12-8-15-7-10-17-18(15)2/h7,10,14,16H,3-6,8-9,11-13H2,1-2H3
InChIKeyQVXAGVDFJMZCOB-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.82
Rot. Bonds8

About N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106616829) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106616829
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCc1ccnn1C)CC1CCCN1
InChIInChI=1S/C15H28N4/c1-3-4-11-19(13-14-6-5-9-16-14)12-8-15-7-10-17-18(15)2/h7,10,14,16H,3-6,8-9,11-13H2,1-2H3
InChIKeyQVXAGVDFJMZCOB-UHFFFAOYSA-N
XLogP1.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616617
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632084
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640781
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616966
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole
CID 103004046
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106604712
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604779
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 112755518
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604456

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106616829) is N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(CCc1ccnn1C)CC1CCCN1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is QVXAGVDFJMZCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-4-11-19(13-14-6-5-9-16-14)12-8-15-7-10-17-18(15)2/h7,10,14,16H,3-6,8-9,11-13H2,1-2H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106616829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).