[3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone

C22H26N4O — CID 172670125

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone
SMILESCc1n[nH]c(C)c1-c1ccc(C(=O)N2CCC(N(C)C)C2)c2ccccc12
InChIInChI=1S/C22H26N4O/c1-14-21(15(2)24-23-14)19-9-10-20(18-8-6-5-7-17(18)19)22(27)26-12-11-16(13-26)25(3)4/h5-10,16H,11-13H2,1-4H3,(H,23,24)
InChIKeyQVFUOKSSCCFYLE-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.62
Rot. Bonds3

About [3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone (PubChem CID 172670125) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone
PubChem CID172670125
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone
SMILESCc1n[nH]c(C)c1-c1ccc(C(=O)N2CCC(N(C)C)C2)c2ccccc12
InChIInChI=1S/C22H26N4O/c1-14-21(15(2)24-23-14)19-9-10-20(18-8-6-5-7-17(18)19)22(27)26-12-11-16(13-26)25(3)4/h5-10,16H,11-13H2,1-4H3,(H,23,24)
InChIKeyQVFUOKSSCCFYLE-UHFFFAOYSA-N
XLogP3.62
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone (CID 172670125) is [3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone is Cc1n[nH]c(C)c1-c1ccc(C(=O)N2CCC(N(C)C)C2)c2ccccc12.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone?
The InChIKey is QVFUOKSSCCFYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-14-21(15(2)24-23-14)19-9-10-20(18-8-6-5-7-17(18)19)22(27)26-12-11-16(13-26)25(3)4/h5-10,16H,11-13H2,1-4H3,(H,23,24).
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone is sourced from PubChem (CID 172670125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).