N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C15H28N4 — CID 106616966

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1cc(C)nn1C)CC1CCCN1
InChIInChI=1S/C15H28N4/c1-4-5-9-19(11-14-7-6-8-16-14)12-15-10-13(2)17-18(15)3/h10,14,16H,4-9,11-12H2,1-3H3
InChIKeyXTXZFHIGNQUAJC-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.08
Rot. Bonds7

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106616966) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106616966
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1cc(C)nn1C)CC1CCCN1
InChIInChI=1S/C15H28N4/c1-4-5-9-19(11-14-7-6-8-16-14)12-15-10-13(2)17-18(15)3/h10,14,16H,4-9,11-12H2,1-3H3
InChIKeyXTXZFHIGNQUAJC-UHFFFAOYSA-N
XLogP2.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616967
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604750
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616829
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
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616947
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616672
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616724
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106604712
1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
CID 106615787
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604138

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106616966) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(Cc1cc(C)nn1C)CC1CCCN1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is XTXZFHIGNQUAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-5-9-19(11-14-7-6-8-16-14)12-15-10-13(2)17-18(15)3/h10,14,16H,4-9,11-12H2,1-3H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106616966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).