N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine

C19H27N3O — CID 77082731

IUPACN-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCc1cc(-n2cccn2)ccc1CN(C)CCCC1CCCO1
InChIInChI=1S/C19H27N3O/c1-16-14-18(22-12-5-10-20-22)9-8-17(16)15-21(2)11-3-6-19-7-4-13-23-19/h5,8-10,12,14,19H,3-4,6-7,11,13,15H2,1-2H3
InChIKeyAIKNTMZMTJRKBV-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.57
Rot. Bonds7

About N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine

N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 77082731) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID77082731
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCc1cc(-n2cccn2)ccc1CN(C)CCCC1CCCO1
InChIInChI=1S/C19H27N3O/c1-16-14-18(22-12-5-10-20-22)9-8-17(16)15-21(2)11-3-6-19-7-4-13-23-19/h5,8-10,12,14,19H,3-4,6-7,11,13,15H2,1-2H3
InChIKeyAIKNTMZMTJRKBV-UHFFFAOYSA-N
XLogP3.57
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65158366
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide
CID 77078809
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 124842324
N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline
CID 82834451
3-chloro-4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-5-[(4-pyrazol-1-ylphenyl)methyl]benzaldehyde
CID 146614284
2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one
CID 99953838
4-[[methyl-[3-(oxolan-2-yl)propyl]amino]methyl]benzonitrile
CID 77079691
1-methyl-1-[[(2S)-oxan-2-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124572395
1-methyl-1-(oxan-2-ylmethyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 118786796
N,6-dimethyl-N-[2-(oxolan-2-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 166271191
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
N,N-dimethyl-1-[4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1,4-oxazepan-6-yl]methanamine
CID 56891183

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine (CID 77082731) is N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine is Cc1cc(-n2cccn2)ccc1CN(C)CCCC1CCCO1.
What is the InChIKey of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is AIKNTMZMTJRKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-16-14-18(22-12-5-10-20-22)9-8-17(16)15-21(2)11-3-6-19-7-4-13-23-19/h5,8-10,12,14,19H,3-4,6-7,11,13,15H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 77082731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).