N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline

C14H17N3O — CID 82834451

IUPACN-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline
SMILESc1cnn(-c2ccc(NCC3CCCO3)cc2)c1
InChIInChI=1S/C14H17N3O/c1-3-14(18-10-1)11-15-12-4-6-13(7-5-12)17-9-2-8-16-17/h2,4-9,14-15H,1,3,10-11H2
InChIKeyRKIDXQMMIZJMHV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline

N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline (PubChem CID 82834451) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline
PubChem CID82834451
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline
SMILESc1cnn(-c2ccc(NCC3CCCO3)cc2)c1
InChIInChI=1S/C14H17N3O/c1-3-14(18-10-1)11-15-12-4-6-13(7-5-12)17-9-2-8-16-17/h2,4-9,14-15H,1,3,10-11H2
InChIKeyRKIDXQMMIZJMHV-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 86930592
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
[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258
2-methyl-1-(oxolan-2-ylmethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792235
8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374814
4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893
4-iodo-N-(oxan-2-ylmethyl)aniline
CID 43403484
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
CID 25127473
N'-(3-chloro-4-pyrazol-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95156596
N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 95985471

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline (CID 82834451) is N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline is c1cnn(-c2ccc(NCC3CCCO3)cc2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline?
The InChIKey is RKIDXQMMIZJMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-14(18-10-1)11-15-12-4-6-13(7-5-12)17-9-2-8-16-17/h2,4-9,14-15H,1,3,10-11H2.
What are the key properties of N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline?
N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline has a molecular weight of 243.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylaniline is sourced from PubChem (CID 82834451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).