N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C16H21N3O2 — CID 43745484

IUPACN-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCOc1ccc(CNc2cnn(CC3CCCO3)c2)cc1
InChIInChI=1S/C16H21N3O2/c1-20-15-6-4-13(5-7-15)9-17-14-10-18-19(11-14)12-16-3-2-8-21-16/h4-7,10-11,16-17H,2-3,8-9,12H2,1H3
InChIKeyCDYZAPFEAKXXON-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.68
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43745484) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43745484
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCOc1ccc(CNc2cnn(CC3CCCO3)c2)cc1
InChIInChI=1S/C16H21N3O2/c1-20-15-6-4-13(5-7-15)9-17-14-10-18-19(11-14)12-16-3-2-8-21-16/h4-7,10-11,16-17H,2-3,8-9,12H2,1H3
InChIKeyCDYZAPFEAKXXON-UHFFFAOYSA-N
XLogP2.68
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136527849
1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66415350
2-bromo-4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]phenol
CID 63046936
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine
CID 43745591
2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol
CID 66269619
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
N-[(2-bromo-5-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 66160337
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43745484) is N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is COc1ccc(CNc2cnn(CC3CCCO3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is CDYZAPFEAKXXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-15-6-4-13(5-7-15)9-17-14-10-18-19(11-14)12-16-3-2-8-21-16/h4-7,10-11,16-17H,2-3,8-9,12H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43745484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).