N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide

C22H26N4O2 — CID 155523974

IUPACN,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)N(C)CCN(C)Cc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H26N4O2/c1-18-15-23-26(16-18)22(27)25(3)14-13-24(2)17-19-9-11-21(12-10-19)28-20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyUCMHNCGKMPXBTI-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.02
Rot. Bonds7

About N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide

N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide (PubChem CID 155523974) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
PubChem CID155523974
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)N(C)CCN(C)Cc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H26N4O2/c1-18-15-23-26(16-18)22(27)25(3)14-13-24(2)17-19-9-11-21(12-10-19)28-20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyUCMHNCGKMPXBTI-UHFFFAOYSA-N
XLogP4.02
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The IUPAC name of N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide (CID 155523974) is N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide is Cc1cnn(C(=O)N(C)CCN(C)Cc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The InChIKey is UCMHNCGKMPXBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-18-15-23-26(16-18)22(27)25(3)14-13-24(2)17-19-9-11-21(12-10-19)28-20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide is sourced from PubChem (CID 155523974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).