N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide

C19H20N4O2 — CID 59003625

IUPACN,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(C)n1
InChIInChI=1S/C19H20N4O2/c1-22(2)19(24)17-11-18(23(3)21-17)16-10-9-15(12-20-16)25-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyHQMFZXSHVKDVIV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.76
Rot. Bonds5

About N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide

N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 59003625) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID59003625
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(C)n1
InChIInChI=1S/C19H20N4O2/c1-22(2)19(24)17-11-18(23(3)21-17)16-10-9-15(12-20-16)25-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyHQMFZXSHVKDVIV-UHFFFAOYSA-N
XLogP2.76
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide (CID 59003625) is N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide is CN(C)C(=O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(C)n1.
What is the InChIKey of N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is HQMFZXSHVKDVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22(2)19(24)17-11-18(23(3)21-17)16-10-9-15(12-20-16)25-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3.
What are the key properties of N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide?
N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 59003625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).