4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde

C24H32N4O3 — CID 143548371

IUPAC4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde
SMILESC=O.CNCCC(CCNC)c1cc(-c2ccc(OC)cc2)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C23H30N4O2.CH2O/c1-24-14-12-17(13-15-25-2)22-16-23(18-4-10-21(29-3)11-5-18)27(26-22)19-6-8-20(28)9-7-19;1-2/h4-11,16-17,24-25,28H,12-15H2,1-3H3;1H2
InChIKeyFNXVQOXXTUMXIX-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.37
Rot. Bonds10

About 4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde

4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde (PubChem CID 143548371) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde.

Molecular Properties

Compound Name4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde
PubChem CID143548371
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde
SMILESC=O.CNCCC(CCNC)c1cc(-c2ccc(OC)cc2)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C23H30N4O2.CH2O/c1-24-14-12-17(13-15-25-2)22-16-23(18-4-10-21(29-3)11-5-18)27(26-22)19-6-8-20(28)9-7-19;1-2/h4-11,16-17,24-25,28H,12-15H2,1-3H3;1H2
InChIKeyFNXVQOXXTUMXIX-UHFFFAOYSA-N
XLogP3.37
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
CID 21090959
[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
CID 21090936
methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate
CID 54270878
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylethanamine;hydrochloride
CID 158524383
4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol
CID 135990947
ethyl 3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoate
CID 14871160
2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
CID 58806820
5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 166610813
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde?
The IUPAC name of 4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde (CID 143548371) is 4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde.
What is the SMILES notation for 4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde?
The canonical SMILES for 4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde is C=O.CNCCC(CCNC)c1cc(-c2ccc(OC)cc2)n(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde?
The InChIKey is FNXVQOXXTUMXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.CH2O/c1-24-14-12-17(13-15-25-2)22-16-23(18-4-10-21(29-3)11-5-18)27(26-22)19-6-8-20(28)9-7-19;1-2/h4-11,16-17,24-25,28H,12-15H2,1-3H3;1H2.
What are the key properties of 4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde?
4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde has a molecular weight of 424.55 g/mol, XLogP of 3.37, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde is sourced from PubChem (CID 143548371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).