N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide

C21H22N4O2 — CID 134325385

IUPACN-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide
SMILESCCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1
InChIInChI=1S/C21H22N4O2/c1-3-27-19-9-18(11-22-12-19)25-13-16(10-23-25)20-8-15(5-4-14(20)2)21(26)24-17-6-7-17/h4-5,8-13,17H,3,6-7H2,1-2H3,(H,24,26)
InChIKeyYCHGENZUSBIDSP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.53
Rot. Bonds6

About N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134325385) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide
PubChem CID134325385
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide
SMILESCCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1
InChIInChI=1S/C21H22N4O2/c1-3-27-19-9-18(11-22-12-19)25-13-16(10-23-25)20-8-15(5-4-14(20)2)21(26)24-17-6-7-17/h4-5,8-13,17H,3,6-7H2,1-2H3,(H,24,26)
InChIKeyYCHGENZUSBIDSP-UHFFFAOYSA-N
XLogP3.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide (CID 134325385) is N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide is CCOc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1.
What is the InChIKey of N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is YCHGENZUSBIDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-27-19-9-18(11-22-12-19)25-13-16(10-23-25)20-8-15(5-4-14(20)2)21(26)24-17-6-7-17/h4-5,8-13,17H,3,6-7H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(5-ethoxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).