N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C15H27ClN4 — CID 106616967

IUPACN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1c(Cl)c(C)nn1C)CC1CCCN1
InChIInChI=1S/C15H27ClN4/c1-4-5-9-20(10-13-7-6-8-17-13)11-14-15(16)12(2)18-19(14)3/h13,17H,4-11H2,1-3H3
InChIKeyCWADBVSAJYFTQU-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.74
Rot. Bonds7

About N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106616967) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106616967
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1c(Cl)c(C)nn1C)CC1CCCN1
InChIInChI=1S/C15H27ClN4/c1-4-5-9-20(10-13-7-6-8-17-13)11-14-15(16)12(2)18-19(14)3/h13,17H,4-11H2,1-3H3
InChIKeyCWADBVSAJYFTQU-UHFFFAOYSA-N
XLogP2.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616672
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616966
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616947
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616454
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616114
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604750
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 112755518
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
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-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616724
N-butyl-1,3-dimethyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrazol-5-amine
CID 106620321

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106616967) is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(Cc1c(Cl)c(C)nn1C)CC1CCCN1.
What is the InChIKey of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is CWADBVSAJYFTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-4-5-9-20(10-13-7-6-8-17-13)11-14-15(16)12(2)18-19(14)3/h13,17H,4-11H2,1-3H3.
What are the key properties of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 298.86 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106616967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).